Determination of the strain generated in InAs/InP quantum wires: prediction of nucleation sites

Energy Technology Data Exchange (ETDEWEB)

Molina, S I [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Ben, T [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Sales, D L [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Pizarro, J [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Galindo, P L [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Varela, M [Condensed Matter Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Pennycook, S J [Condensed Matter Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Fuster, D [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain); Gonzalez, Y [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain); Gonzalez, L [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain)

2006-11-28

The compositional distribution in a self-assembled InAs(P) quantum wire grown by molecular beam epitaxy on an InP(001) substrate has been determined by electron energy loss spectrum imaging. We have determined the strain and stress fields generated in and around this wire capped with a 5 nm InP layer by finite element calculations using as input the compositional map experimentally obtained. Preferential sites for nucleation of wires grown on the surface of this InP capping layer are predicted, based on chemical potential minimization, from the determined strain and stress fields on this surface. The determined preferential sites for wire nucleation agree with their experimentally measured locations. The method used in this paper, which combines electron energy loss spectroscopy, high-resolution Z contrast imaging, and elastic theory finite element calculations, is believed to be a valuable technique of wide applicability for predicting the preferential nucleation sites of epitaxial self-assembled nano-objects.

Void nucleation at heterogeneities

International Nuclear Information System (INIS)

Seyyedi, S.A.; Hadji-Mirzai, M.; Russell, K.C.

The energetics and kinetics of void nucleation at dislocations and interfaces are analyzed. These are potential void nucleation sites only when they are not point defect sinks. Both kinds of site are found to be excellent catalysts in the presence of inert gas

Heterogeneous nucleation of amorphous alloys on catalytic nanoparticles to produce 2D patterned nanocrystal arrays

International Nuclear Information System (INIS)

Gangopadhyay, A K; Krishna, H; Favazza, C; Miller, C; Kalyanaraman, R

2007-01-01

Templates are widely used to produce artificial nanostructures. Here, laser-assisted self-organization has been used to form one- and two-dimensional (D) nanoarrays of Cu nanocrystals. Using these nanoarrays as a template, a 2D patterned ferromagnetic nanostructure of FeCrSi nanocrystals has been produced by heterogeneous nucleation and growth of nanocrystals by partial devitrification from an amorphous Fe 64.5 Cr 10 Si 13.5 B 9 Nb 3 alloy with the Cu nanoparticles acting as catalytic nucleation sites. The interaction among the ferromagnetic nanocrystals via the residual amorphous matrix can be controlled by suitable choice of the amorphous alloy composition. Although demonstrated for a ferromagnetic system, the processing method may have much wider applicability for producing artificial nanostructures of a wide variety of materials when materials-specific catalysts and amorphous alloy compositions are judiciously chosen

Heat transfer enhancement on nucleate boiling

International Nuclear Information System (INIS)

Zhuang, M.; Guibai, L.

1990-01-01

This paper reports on enhancement of nucleate boiling heat transfer with additives that was investigated experimentally. More than fifteen kinds of additives were chosen and tested. Eight kinds of effective additives which can enhance nucleate boiling heat transfer were selected. Experimental results showed that boiling heat transfer coefficient of water was increased by 1 to 5 times and that of R-113 was increased by 1 to 4 times when trace amount additives were put in the two boiling liquids. There exist optimum concentrations for the additives, respectively, which can enhance nucleate boiling heat transfer rate best. In order to analyze the mechanism of the enhancement of boiling heat transfer with additives, the surface tension and the bubble departure diameter were measured. The nucleation sites were investigated by use of high-speed photograph. Experimental results showed that nucleation sites increase with additive amount increasing and get maximum. Increasing nucleation sites is one of the most important reason why nucleate boiling heat transfer can be enhanced with additives

Heterogeneous nucleation of amorphous alloys on catalytic nanoparticles to produce 2D patterned nanocrystal arrays

Energy Technology Data Exchange (ETDEWEB)

Gangopadhyay, A K [Department of Physics, Washington University in St Louis, MO 63130 (United States); Krishna, H [Department of Physics, Washington University in St Louis, MO 63130 (United States); Favazza, C [Department of Physics, Washington University in St Louis, MO 63130 (United States); Miller, C [Center for Materials Innovation, Washington University in St Louis, MO 63130 (United States); Kalyanaraman, R [Department of Physics, Washington University in St Louis, MO 63130 (United States)

2007-12-05

Templates are widely used to produce artificial nanostructures. Here, laser-assisted self-organization has been used to form one- and two-dimensional (D) nanoarrays of Cu nanocrystals. Using these nanoarrays as a template, a 2D patterned ferromagnetic nanostructure of FeCrSi nanocrystals has been produced by heterogeneous nucleation and growth of nanocrystals by partial devitrification from an amorphous Fe{sub 64.5}Cr{sub 10}Si{sub 13.5}B{sub 9}Nb{sub 3} alloy with the Cu nanoparticles acting as catalytic nucleation sites. The interaction among the ferromagnetic nanocrystals via the residual amorphous matrix can be controlled by suitable choice of the amorphous alloy composition. Although demonstrated for a ferromagnetic system, the processing method may have much wider applicability for producing artificial nanostructures of a wide variety of materials when materials-specific catalysts and amorphous alloy compositions are judiciously chosen.

Modelling of a DNB mechanism by dry-out of a nucleation site

International Nuclear Information System (INIS)

Bricard, P.

1995-10-01

This study deals with the modelling of a nucleation site dry-out DNB mechanism which unifies those of Kirby et al. (1967) and Fiori and Bergles (1970). A first model based on a simplified heat balance in the wall at the location of the dry spot is developed and a set of closure relations is proposed. The model is then quantitatively and qualitatively compared to CHF data. In order to support the likelihood of the mechanism, we develop a more elaborated model which couples the unsteady thermal behavior of the wall and the thermal-hydraulics of the fluid described by the different phases of the nucleation cycle. The conditions which enable the boiling crisis to be reached are given

Nucleate pool boiling investigation on a silicon test section with micro-fabricated cavities

International Nuclear Information System (INIS)

Sanna, A.; Kenning, D.B.R.; Karayiannis, T.G.; Hutter, C.; Sefiane, K.; Nelson, R.A.

2009-01-01

The basic mechanisms of nucleate boiling are still not completely understood, in spite of the many numerical and experimental studies dedicated to the topic. The use of a hybrid code allows reasonable computational times for simulations of a solid plate with a large population of artificial micro-cavities with fixed distribution. This paper analyses the guidelines for the design, through numerical simulations, of the location and sizes of micro-fabricated cavities on a new silicon test section immersed in FC-72 at the saturation temperature for different pressures with an imposed heat flux applied at the back of the plate. Particular focus is on variations of wall temperature around nucleation sites. (author)

The XMAP215 Ortholog Alp14 Promotes Microtubule Nucleation in Fission Yeast.

Science.gov (United States)

Flor-Parra, Ignacio; Iglesias-Romero, Ana Belén; Chang, Fred

2018-06-04

The organization and number of microtubules (MTs) in a cell depend on the proper regulation of MT nucleation. Currently, the mechanism of nucleation is the most poorly understood aspect of MT dynamics. XMAP215/chTOG/Alp14/Stu2 proteins are MT polymerases that stimulate MT polymerization at MT plus ends by binding and releasing tubulin dimers. Although these proteins also localize to MT organizing centers and have nucleating activity in vitro, it is not yet clear whether these proteins participate in MT nucleation in vivo. Here, we demonstrate that in the fission yeast Schizosaccharomyces pombe, the XMAP215 ortholog Alp14 is critical for efficient MT nucleation in vivo. In multiple assays, loss of Alp14 function led to reduced nucleation rate and numbers of interphase MT bundles. Conversely, activation of Alp14 led to increased nucleation frequency. Alp14 associated with Mto1 and γ-tubulin complex components, and artificially targeting Alp14 to the γ-tubulin ring complexes (γ-TuRCs) stimulated nucleation. In imaging individual nucleation events, we found that Alp14 transiently associated with a γ-tubulin particle shortly before the appearance of a new MT. The transforming acidic coiled-coil (TACC) ortholog Alp7 mediated the localization of Alp14 at nucleation sites but not plus ends, and was required for efficient nucleation but not for MT polymerization. Our findings provide the strongest evidence to date that Alp14 serves as a critical MT nucleation factor in vivo. We suggest a model in which Alp14 associates with the γ-tubulin complex in an Alp7-dependent manner to facilitate the assembly or stabilization of the nascent MT. Copyright © 2018 Elsevier Ltd. All rights reserved.

Ice nucleation properties of mineral dust particles: determination of onset RHi, IN active fraction, nucleation time-lag, and the effect of active sites on contact angles

Directory of Open Access Journals (Sweden)

S. Dobbie

2010-01-01

Full Text Available A newly developed ice nucleation experimental set up was used to investigate the heterogeneous ice nucleation properties of three Saharan and one Spanish dust particle samples. It was observed that the spread in the onset relative humidities with respect to ice (RHi for Saharan dust particles varied from 104% to 110%, whereas for the Spanish dust from 106% to 110%. The elemental composition analysis shows a prominent Ca feature in the Spanish dust sample which could potentially explain the differences in nucleation threshold. Although the spread in the onset RHi for the three Saharan dust samples were in agreement, the active fractions and nucleation time-lags calculated at various temperature and RHi conditions were found to differ. This could be due to the subtle variation in the elemental composition of the dust samples, and surface irregularities like steps, cracks, cavities etc. A combination of classical nucleation theory and active site theory is used to understand the importance of these surface irregularities on the nucleability parameter, contact angle that is widely used in ice cloud modeling. These calculations show that the surface irregularities can reduce the contact angle by approximately 10 degrees.

Nucleation reactions during deformation and crystallization of metallic glass

International Nuclear Information System (INIS)

Perepezko, J.H.; Imhoff, S.D.; Chen, M.W.; Gonzalez, S.; Inoue, A.

2012-01-01

Highlights: ► New approach to the examination and analysis of shear band nucleation. ► Discovery of multiple shear band nucleation sites. ► Identification of a method of using transient kinetic behavior to provide a more realistic evaluation of the diffusivity that is relevant to nucleation. - Abstract: Nucleation reactions play a central role in the synthesis of both bulk metallic glasses and nanostructured materials. For nanostructured materials it is necessary to promote a high nucleation density without significant growth or coarsening. Beyond crystallization reactions nucleation of shear bands is critical for promoting a homogeneous flow and useful ductility for structural applications of bulk metallic glass. The study and analysis of nucleation reactions for these different situations requires a consideration of the stochastic nature of nucleation, the influence of heterogeneous sites, and the controlling transport properties. For shear band nucleation, the stochastic nature can be effectively probed by instrumented nanoindentation tests. The analysis of a statistically significant number of measurements of the first pop-in shear band nucleation events reveals at least two main nucleation sites. In nanostructured composites, the initial nucleation stage is influenced by transient effects as reflected in the delay time prior to steady state nucleation and by heterogeneous nucleation sites that are related to medium range order regions in Al-base amorphous alloys. Moreover, the early growth characteristics are linked to the maximum achievable particle density. The new developments and insight on the fundamental understanding of nanostructure reaction mechanisms offer valuable guidance for control of nanoscale microstructures and for promoting ductile deformation behavior.

Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleation.

Science.gov (United States)

Halonen, Roope; Zapadinsky, Evgeni; Vehkamäki, Hanna

2018-04-28

We present a comparison between Monte Carlo (MC) results for homogeneous vapour-liquid nucleation of Lennard-Jones clusters and previously published values from molecular dynamics (MD) simulations. Both the MC and MD methods sample real cluster configuration distributions. In the MD simulations, the extent of the temperature fluctuation is usually controlled with an artificial thermostat rather than with more realistic carrier gas. In this study, not only a primarily velocity scaling thermostat is considered, but also Nosé-Hoover, Berendsen, and stochastic Langevin thermostat methods are covered. The nucleation rates based on a kinetic scheme and the canonical MC calculation serve as a point of reference since they by definition describe an equilibrated system. The studied temperature range is from T = 0.3 to 0.65 ϵ/k. The kinetic scheme reproduces well the isothermal nucleation rates obtained by Wedekind et al. [J. Chem. Phys. 127, 064501 (2007)] using MD simulations with carrier gas. The nucleation rates obtained by artificially thermostatted MD simulations are consistently lower than the reference nucleation rates based on MC calculations. The discrepancy increases up to several orders of magnitude when the density of the nucleating vapour decreases. At low temperatures, the difference to the MC-based reference nucleation rates in some cases exceeds the maximal nonisothermal effect predicted by classical theory of Feder et al. [Adv. Phys. 15, 111 (1966)].

Copper Oxidation through Nucleation Sites of Chemical Vapor Deposited Graphene

DEFF Research Database (Denmark)

Luo, Birong; Whelan, Patrick Rebsdorf; Shivayogimath, Abhay

2016-01-01

We investigate the nucleation defect-triggered oxidation of Cu covered by CVD graphene during postannealing in air. The results reveal that different growth conditions may induce imperfect nucleation of graphene, and cause creation of defects near the nucleation point such as pin holes...... and amorphous carbon. These defects would serve as a pathway for the diffusion of 02 during thermal annealing, allowing oxidation of Cu to progress gradually from the nucleation center toward the growth edge. The oxidation process follows the graphene morphology closely; the shape of the oxidized area of Cu has...... a striking resemblance to that of the graphene flakes. Our work demonstrates that inferior graphene nucleation in CVD processes can compromise the oxidation resistance of a graphene-coated Cu substrate, and indirectly reveal the structure and integrity of graphene, which is of fundamental importance...

Ice nucleation properties of mineral dusts

OpenAIRE

Steinke, Isabelle

2013-01-01

Ice nucleation in clouds has a significant impact on the global hydrological cycle as well as on the radiative budget of the Earth. The AIDA cloud chamber was used to investigate the ice nucleation efficiency of various atmospherically relevant mineral dusts. From experiments with Arizona Test Dust (ATD) a humidity and temperature dependent ice nucleation active surface site density parameterization was developed to describe deposition nucleation at temperatures above 220 K. Based...

Modelling the role of compositional fluctuations in nucleation kinetics

International Nuclear Information System (INIS)

Ženíšek, J.; Kozeschnik, E.; Svoboda, J.; Fischer, F.D.

2015-01-01

The classical nucleation theory of precipitate nucleation in interstitial/substitutional alloys is applied to account for the influence of spatial A–B composition fluctuations in an A–B–C matrix on the kinetics of nucleation of (A,B) 3 C precipitates. A and B are substitutional elements in the matrix and C is an interstitial component, assumed to preferentially bind to B atoms. All lattice sites are considered as potential nucleation sites. The fluctuations of chemical composition result in a local variation of the nucleation probability. The nucleation sites are eliminated from the system if they are located in a C-depleted diffusion zone belonging to an already nucleated and growing precipitate. The chemistry is that of an Fe–Cr–C system, and the specific interface energy is treated as a free parameter. Random, regular and homogeneous A–B distributions in the matrix are simulated and compared for various values of the interface energy. An increasing enhancement of the role of compositional fluctuations on nucleation kinetics with increasing interface energy and decreasing chemical driving force is observed

Immersion freezing of ice nucleation active protein complexes

Directory of Open Access Journals (Sweden)

S. Hartmann

2013-06-01

Full Text Available Utilising the Leipzig Aerosol Cloud Interaction Simulator (LACIS, the immersion freezing behaviour of droplet ensembles containing monodisperse particles, generated from a Snomax™ solution/suspension, was investigated. Thereto ice fractions were measured in the temperature range between −5 °C to −38 °C. Snomax™ is an industrial product applied for artificial snow production and contains Pseudomonas syringae} bacteria which have long been used as model organism for atmospheric relevant ice nucleation active (INA bacteria. The ice nucleation activity of such bacteria is controlled by INA protein complexes in their outer membrane. In our experiments, ice fractions increased steeply in the temperature range from about −6 °C to about −10 °C and then levelled off at ice fractions smaller than one. The plateau implies that not all examined droplets contained an INA protein complex. Assuming the INA protein complexes to be Poisson distributed over the investigated droplet populations, we developed the CHESS model (stoCHastic modEl of similar and poiSSon distributed ice nuclei which allows for the calculation of ice fractions as function of temperature and time for a given nucleation rate. Matching calculated and measured ice fractions, we determined and parameterised the nucleation rate of INA protein complexes exhibiting class III ice nucleation behaviour. Utilising the CHESS model, together with the determined nucleation rate, we compared predictions from the model to experimental data from the literature and found good agreement. We found that (a the heterogeneous ice nucleation rate expression quantifying the ice nucleation behaviour of the INA protein complex is capable of describing the ice nucleation behaviour observed in various experiments for both, Snomax™ and P. syringae bacteria, (b the ice nucleation rate, and its temperature dependence, seem to be very similar regardless of whether the INA protein complexes inducing ice

A study on Z-phase nucleation in martensitic chromium steels

DEFF Research Database (Denmark)

Golpayegani, Ardeshir; Andrén, Hans-Olof; Danielsen, Hilmar Kjartansson

2008-01-01

, initial stages of precipitation of Z-phase have been studied and characterized using energy-filtered transmission electron microscopy (EFTEM). Vanadium nitrides were found to provide the most suitable nucleation site for Z-phase, since the misfit between the (0 0 1) planes of VN and Z-phase is very small....... Furthermore, such a nucleation site would provide vanadium and nitrogen for the growth of Z-phase. The presence of niobium carbide has also been observed close to Z-phase nucleation sites, indicating niobium to be important for the nucleation and growth of Z-phase....

Cytoplasmic Nucleation and Atypical Branching Nucleation Generate Endoplasmic Microtubules in Physcomitrella patens[OPEN

Science.gov (United States)

Nakaoka, Yuki; Kimura, Akatsuki; Tani, Tomomi; Goshima, Gohta

2015-01-01

The mechanism underlying microtubule (MT) generation in plants has been primarily studied using the cortical MT array, in which fixed-angled branching nucleation and katanin-dependent MT severing predominate. However, little is known about MT generation in the endoplasm. Here, we explored the mechanism of endoplasmic MT generation in protonemal cells of Physcomitrella patens. We developed an assay that utilizes flow cell and oblique illumination fluorescence microscopy, which allowed visualization and quantification of individual MT dynamics. MT severing was infrequently observed, and disruption of katanin did not severely affect MT generation. Branching nucleation was observed, but it showed markedly variable branch angles and was occasionally accompanied by the transport of nucleated MTs. Cytoplasmic nucleation at seemingly random locations was most frequently observed and predominated when depolymerized MTs were regrown. The MT nucleator γ-tubulin was detected at the majority of the nucleation sites, at which a single MT was generated in random directions. When γ-tubulin was knocked down, MT generation was significantly delayed in the regrowth assay. However, nucleation occurred at a normal frequency in steady state, suggesting the presence of a γ-tubulin-independent backup mechanism. Thus, endoplasmic MTs in this cell type are generated in a less ordered manner, showing a broader spectrum of nucleation mechanisms in plants. PMID:25616870

Numerical investigation of nucleate pool boiling heat transfer

Directory of Open Access Journals (Sweden)

Stojanović Andrijana D.

2016-01-01

Full Text Available Multidimensional numerical simulation of the atmospheric saturated pool boiling is performed. The applied modelling and numerical methods enable a full representation of the liquid and vapour two-phase mixture behaviour on the heated surface, with included prediction of the swell level and heated wall temperature field. In this way the integral behaviour of nucleate pool boiling is simulated. The micro conditions of bubble generation at the heated wall surface are modelled by the bubble nucleation site density, the liquid wetting contact angle and the bubble grow time. The bubble nucleation sites are randomly located within zones of equal size, where the number of zones equals the nucleation site density. The conjugate heat transfer from the heated wall to the liquid is taken into account in wetted heated wall areas around bubble nucleation sites. The boiling curve relation between the heat flux and the heated wall surface temperature in excess of the saturation temperature is predicted for the pool boiling conditions reported in the literature and a good agreement is achieved with experimentally measured data. The influence of the nucleation site density on the boiling curve characteristic is confirmed. In addition, the influence of the heat flux intensity on the spatial effects of vapour generation and two-phase flow are shown, such as the increase of the swell level position and the reduced wetting of the heated wall surface by the heat flux increase. [Projekat Ministarstva nauke Republike Srbije, br. TR-33018 i br. OI-174014

Mechanisms of nucleation in flashing flows

International Nuclear Information System (INIS)

Yan, F.; Giot, M.

1989-01-01

The mechanisms of nucleation have been analysed. Starting from the assumption that the activation of micro-cavities in the wall surfaces is the most probable nucleation mechanism in practical flashing system, the authors study in detail the nucleation in a micro-cavity. A three step nucleation criterion is proposed, namely: trapping cavity, activable cavity and active cavity. Then, a new nucleation model is presented. The output of the model is the prediction of the bubble departure frequency versus the thermodynamic state of the liquid and the geometry of the cavity. The model can also predict the nucleation site density if the nature of the wall and the surface roughness are know. The prediction have been successfully compared with some preliminary experimental results. By combining the present model with Jones'theory, the flashing inception is correctly predicted. The use of this nucleation model for the complete modelling of a flashing non-equilibrium flow is in progress

Economic feasibility of artificial islands for cluster-siting of offshore energy facilities

International Nuclear Information System (INIS)

Baram, M.S.; Spencer, J.; Munson, J.S.

1977-04-01

The study presents a general first-order cost feasibility analysis of the artificial island concept and its usefulness for the offshore siting of multiple energy facilities. The results of the study include a recommended method of cost-feasibility assessment; the collection and organization of the most useful information presently available; and a series of conclusions on feasibility for generic comparison purposes. These conclusions can be summarized as follows: (1) artificial islands to the outer bound of the continental shelf are technologically feasible; (2) offshore nuclear power plants appear to be competitive with onshore plants from a cost standpoint; (3) offshore deepwater ports appear to be more economical than proposed onshore deepwater ports, existing facilities or facilities presently under construction; (4) offshore oil refineries, except under special circumstantces, will probably be more costly than onshore counterparts; (5) the cluster-siting of facilities on an artificial island has definite cost-effectiveness potential; (6) a joint public-private financial venture with a strong federal agency lead role appears essential for the multi-facility island concept to be realized; and (7) artificial island siting of energy complexes appears to be a concept worth pursuing in terms of further site and facility-specific research, and possibly in terms of a demonstration project

Effects of clustered nucleation on recrystallization

DEFF Research Database (Denmark)

Storm, Søren; Juul Jensen, Dorte

2009-01-01

Computer simulations are used to study effects of an experimentally determined 3D distribution of nucleation sites on the recrystallization kinetics and on the evolution of the recrystallized microstructure as compared to simulations with random nucleation. It is found that although...... the experimentally observed clustering is not very strong, it changes the kinetics and the recrystallized microstructural morphology plus leads to a recrystallized grain size distribution, which is significantly broadened compared to that of random nucleation simulations. (C) 2009 Published by Elsevier Ltd...

Review: The nucleation of disorder

International Nuclear Information System (INIS)

Cahn, R.W.; Johnson, W.L.

1986-01-01

Four types of phase transformation that involve the conversion of crystalline phases into more disordered forms are reviewed: melting, disordering of superlattices, amorphization by diffusion between crystalline phases, and irradation amorphization. In the review emphasis is placed on evidence for the heterogeneous nucleation of the product phases; in this connection, the role of surfaces, antiphase domain boundaries, dislocations, vacancies, and grain boundaries is specifically discussed. All of these features have been either observed, or hypothesized, to play a role as heterogeneous nucleation sites in one or more of the four transformations. An attempt is made to draw parallels between nucleation mechanisms in the various processes

Effect of starting microstructure upon the nucleation sites and distribution of graphite particles during a graphitising anneal of an experimental medium-carbon machining steel

Energy Technology Data Exchange (ETDEWEB)

Inam, A., E-mail: aqil.ceet@pu.edu.pk; Brydson, R., E-mail: mtlrmdb@leeds.ac.uk; Edmonds, D.V., E-mail: d.v.edmonds@leeds.ac.uk

2015-08-15

The potential for using graphite particles as an internal lubricant during machining is considered. Graphite particles were found to form during graphitisation of experimental medium-carbon steel alloyed with Si and Al. The graphite nucleation sites were strongly influenced by the starting microstructure, whether ferrite–pearlite, bainite or martensite, as revealed by light and electron microscopy. Favourable nucleation sites in the ferrite–pearlite starting microstructure were, not unexpectedly, found to be located within pearlite colonies, no doubt due to the presence of abundant cementite as a source of carbon. In consequence, the final distribution of graphite nodules in ferrite–pearlite microstructures was less uniform than for the bainite microstructure studied. In the case of martensite, this study found a predominance of nucleation at grain boundaries, again leading to less uniform graphite dispersions. - Highlights: • Metallography of formation of graphite particles in experimental carbon steel. • Potential for using graphite in steel as an internal lubricant during machining. • Microstructure features expected to influence improved machinability studied. • Influence of pre-anneal starting microstructure on graphite nucleation sites. • Influence of pre-anneal starting microstructure on graphite distribution. • Potential benefit is new free-cutting steel compositions without e.g. Pb alloying.

An ArcGIS decision support tool for artificial reefs site selection (ArcGIS ARSS)

Science.gov (United States)

Stylianou, Stavros; Zodiatis, George

2017-04-01

Although the use and benefits of artificial reefs, both socio-economic and environmental, have been recognized with research and national development programmes worldwide their development is rarely subjected to a rigorous site selection process and the majority of the projects use the traditional (non-GIS) approach, based on trial and error mode. Recent studies have shown that the use of Geographic Information Systems, unlike to traditional methods, for the identification of suitable areas for artificial reefs siting seems to offer a number of distinct advantages minimizing possible errors, time and cost. A decision support tool (DSS) has been developed based on the existing knowledge, the multi-criteria decision analysis techniques and the GIS approach used in previous studies in order to help the stakeholders to identify the optimal locations for artificial reefs deployment on the basis of the physical, biological, oceanographic and socio-economic features of the sites. The tool provides to the users the ability to produce a final report with the results and suitability maps. The ArcGIS ARSS support tool runs within the existing ArcMap 10.2.x environment and for the development the VB .NET high level programming language has been used along with ArcObjects 10.2.x. Two local-scale case studies were conducted in order to test the application of the tool focusing on artificial reef siting. The results obtained from the case studies have shown that the tool can be successfully integrated within the site selection process in order to select objectively the optimal site for artificial reefs deployment.

Measurement of nucleation site density, bubble departure diameter and frequency in pool boiling of water using high-speed infrared and optical cameras

Energy Technology Data Exchange (ETDEWEB)

Gerardi, Craig; Buongiorno, Jacopo; Hu, Lin-wen; McKrell, Thomas [Massachusetts Institute of Technology, Cambridge, MA (United States)], e-mail: jacopo@mit.edu

2009-07-01

A high-speed video and IR thermometry based technique has been used to obtain time and space resolved information on bubble nucleation and boiling heat transfer. This approach provides a fundamental and systematic method for investigating nucleate boiling in a very detailed fashion. Data on bubble departure diameter and frequency, growth and wait times, and nucleation site density are measured with relative ease. The data have been compared to the traditional decades-old and poorly-validated nucleate-boiling models and correlations. The agreement between the data and the models is relatively good. This study also shows that new insights into boiling heat transfer mechanisms can be obtained with the present technique. For example, our data and analysis suggest that a large contribution to bubble growth comes from heat transfer through the superheated liquid layer in addition to micro layer evaporation. (author)

Measurement of nucleation site density, bubble departure diameter and frequency in pool boiling of water using high-speed infrared and optical cameras

International Nuclear Information System (INIS)

Gerardi, Craig; Buongiorno, Jacopo; Hu, Lin-wen; McKrell, Thomas

2009-01-01

A high-speed video and IR thermometry based technique has been used to obtain time and space resolved information on bubble nucleation and boiling heat transfer. This approach provides a fundamental and systematic method for investigating nucleate boiling in a very detailed fashion. Data on bubble departure diameter and frequency, growth and wait times, and nucleation site density are measured with relative ease. The data have been compared to the traditional decades-old and poorly-validated nucleate-boiling models and correlations. The agreement between the data and the models is relatively good. This study also shows that new insights into boiling heat transfer mechanisms can be obtained with the present technique. For example, our data and analysis suggest that a large contribution to bubble growth comes from heat transfer through the superheated liquid layer in addition to micro layer evaporation. (author)

The nucleation of austenite in ferritic ductile cast iron

International Nuclear Information System (INIS)

Chou, J.M.; Hon, M.H.; Lee, J.L.

1992-01-01

Austempered ductile cast iron has recently been receiving increasing attention because of its excellent combination of strength and ductility. Since the austenitization process has a significant influence on the mechanical properties of austempered ductile cast iron, several investigations on the nucleation sites of austenite and diffusion paths of carbon from spheroidal graphite have been reported in ferritic ductile cast iron. However, agreement on this subject has not ben reached. The purpose of this paper is to study the preferential nucleation sites of austenite during austenitization at two austenitizing temperatures in ferritic ductile cast iron. An attempt was made to understand the reasons which give rise to preferential austenite nucleation sites. The carbon diffusion paths from spheroidal graphite were also investigated

Three-dimensional investigation of recrystallization nucleation in a particle-containing Al alloy

DEFF Research Database (Denmark)

Zhang, Yonghao; Juul Jensen, Dorte; Zhang, Yubin

2012-01-01

The effects of an inhomogeneous distribution of second-phase particles on nucleation of recrystallization in a particle-containing aluminum alloy are investigated by 3-D serial sectioning. Clusters and bands of big intermetallic particles are the dominating nucleation sites, but other sites...... are also active. The effects of nucleation sites and the inhomogeneous particle distribution on the orientation and size of the nuclei are investigated and their relationships are discussed. 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved....

Nacre biomineralisation: A review on the mechanisms of crystal nucleation.

Science.gov (United States)

Nudelman, Fabio

2015-10-01

The wide diversity of biogenic minerals that is found in nature, each with its own morphology, mechanical properties and composition, is remarkable. In order to produce minerals that are optimally adapted for their function, biomineralisation usually occurs under strict cellular control. This control is exerted by specialised proteins and polysaccharides that assemble into a 3-dimensional organic matrix framework, forming a microenvironment where mineral deposition takes place. Molluscs are unique in that they use a striking variety of structural motifs to build their shells, each made of crystals with different morphologies and different calcium carbonate polymorphs. Much of want is known about mollusc shell formation comes from studies on the nacreous layer, or mother-of-pearl. In this review, we discuss two existing models on the nucleation of aragonite crystals during nacre formation: heteroepitaxial nucleation and mineral bridges. The heteroepitaxial nucleation model is based on the identification of chemical functional groups and aragonite-nucleating proteins at the centre of crystal imprints. It proposes that during nacre formation, each aragonite tablet nucleates independently on a nucleation site that is formed by acidic proteins and/or glycoproteins adsorbed on the chitin scaffold. The mineral bridges model is based on the identification of physical connections between the crystals in a stack, which results in a large number of crystals across several layers sharing the same crystallographic orientation. These observations suggest that there is one nucleation event per stack of tablets. Once the first crystal nucleates and reaches the top interlamellar matrix, it continues growing through pores, giving rise to the next layer of nacre, subsequently propagating into a stack. We compare both models and propose that they work in concert to control crystal nucleation in nacre. De novo crystal nucleation has to occur at least once per stack of aligned crystals

Visualization of nucleate pool boiling of freon 113

International Nuclear Information System (INIS)

Afify, M.A.; Fruman, D.H.

1987-01-01

The purpose of this investigation is to give a fine description of the behaviour of vapour bubbles in nucleate pool boiling at sites of known sizes using high speed photography. The shapes and growth history of isolated bubbles were determined for a variety of experimental conditions. Coalescence effects between two adjacent or consecutive bubbles were also visualized and the occurrence of vapour patches and continuous vapour columns was demonstrated. Quantitative analysis of the films allows to determine the history and nucleation characteristics of bubbles as a function of various parameters such as heat flux, liquid subcooling and size and nature of nucleation sites. These results are in good agreement with those found in the literature

A study on Z-phase nucleation in martensitic chromium steels

International Nuclear Information System (INIS)

Golpayegani, Ardeshir; Andren, Hans-Olof; Danielsen, Hilmar; Hald, John

2008-01-01

9-12% chromium martensitic steels are liable to the precipitation of Z-phase, Cr(V,Nb)N, after long time exposure at 550-650 deg. C. This complex nitride consumes vanadium nitrides and causes the creep strength of the material to fall drastically after several thousand hours of exposure. In this work, initial stages of precipitation of Z-phase have been studied and characterized using energy-filtered transmission electron microscopy (EFTEM). Vanadium nitrides were found to provide the most suitable nucleation site for Z-phase, since the misfit between the (0 0 1) planes of VN and Z-phase is very small. Furthermore, such a nucleation site would provide vanadium and nitrogen for the growth of Z-phase. The presence of niobium carbide has also been observed close to Z-phase nucleation sites, indicating niobium to be important for the nucleation and growth of Z-phase

Mto2 multisite phosphorylation inactivates non-spindle microtubule nucleation complexes during mitosis

Science.gov (United States)

Borek, Weronika E.; Groocock, Lynda M.; Samejima, Itaru; Zou, Juan; de Lima Alves, Flavia; Rappsilber, Juri; Sawin, Kenneth E.

2015-01-01

Microtubule nucleation is highly regulated during the eukaryotic cell cycle, but the underlying molecular mechanisms are largely unknown. During mitosis in fission yeast Schizosaccharomyces pombe, cytoplasmic microtubule nucleation ceases simultaneously with intranuclear mitotic spindle assembly. Cytoplasmic nucleation depends on the Mto1/2 complex, which binds and activates the γ-tubulin complex and also recruits the γ-tubulin complex to both centrosomal (spindle pole body) and non-centrosomal sites. Here we show that the Mto1/2 complex disassembles during mitosis, coincident with hyperphosphorylation of Mto2 protein. By mapping and mutating multiple Mto2 phosphorylation sites, we generate mto2-phosphomutant strains with enhanced Mto1/2 complex stability, interaction with the γ-tubulin complex and microtubule nucleation activity. A mutant with 24 phosphorylation sites mutated to alanine, mto2[24A], retains interphase-like behaviour even in mitotic cells. This provides a molecular-level understanding of how phosphorylation ‘switches off' microtubule nucleation complexes during the cell cycle and, more broadly, illuminates mechanisms regulating non-centrosomal microtubule nucleation. PMID:26243668

Influence of surface conditions in nucleate boiling--the concept of bubble flux density

International Nuclear Information System (INIS)

Shoukri, M.; Judd, R.L.

1978-01-01

A study of the influence of surface conditions in nucleate pool boiling is presented. The surface conditions are represented by the number and distribution of the active nucleation sites as well as the size and size distribution of the cavities that constitute the nucleation sites. The heat transfer rate during nucleate boiling is shown to be influenced by the surface condition through its effect on the number and distribution of the active nucleation sites as well as the frequency of bubble departure from each of these different size cavities. The concept of bubble flux density, which is a function of both the active site density and frequency of bubble departure, is introduced. A method of evaluating the bubble flux density is proposed and a uniform correlation between the boiling heat flux and the bubble flux density is found to exist for a particular solid-liquid combination irrespective of the surface finish within the region of isolated bubbles

A helping hand: artificial nest site provisioning increases breeding ...

African Journals Online (AJOL)

Common white terns Gygis alba lay a single egg balanced on rocks or branches and consequently are at risk of low nesting success. A novel technique of hollowing out coconut husks and providing artificial nest sites was developed on Cousine Island, Seychelles. Our study aimed to critically assess whether common white ...

A biomimetic approach toward artificial bone-like materials

OpenAIRE

Bertozzi, Carolyn R.

2001-01-01

Bone consists of microcrystalline hydroxyapatite and collagen, an elastic protein matrix that is decorated with mineral-nucleating phosphoproteins. Our rational design of artificial bone-like material uses natural bone as a guide. Hydrogel and self-assembling polymers that possess anionic groups suitably positioned for nucleating biominerals, and therefore mimic the natural function of the collagen-phosphoprotein matrix in bone, were designed to direct template-driven biomimetic mineralizatio...

Focus: Nucleation kinetics of shear bands in metallic glass.

Science.gov (United States)

Wang, J Q; Perepezko, J H

2016-12-07

The development of shear bands is recognized as the primary mechanism in controlling the plastic deformability of metallic glasses. However, the kinetics of the nucleation of shear bands has received limited attention. The nucleation of shear bands in metallic glasses (MG) can be investigated using a nanoindentation method to monitor the development of the first pop-in event that is a signature of shear band nucleation. The analysis of a statistically significant number of first pop-in events demonstrates the stochastic behavior that is characteristic of nucleation and reveals a multimodal behavior associated with local spatial heterogeneities. The shear band nucleation rate of the two nucleation modes and the associated activation energy, activation volume, and site density were determined by loading rate experiments. The nucleation activation energy is very close to the value that is characteristic of the β relaxation in metallic glass. The identification of the rate controlling kinetics for shear band nucleation offers guidance for promoting plastic flow in metallic glass.

A highly stable microchannel heat sink for convective boiling

International Nuclear Information System (INIS)

Lu, Chun Ting; Pan Chin

2009-01-01

To develop a highly stable two-phase microchannel heat sink, we experimented with convective boiling in diverging, parallel microchannels with different distributions of laser-etched artificial nucleation sites. Each microchannel had a mean hydraulic diameter of 120 µm. The two-phase flow visualization and the magnitudes of pressure drop and inlet temperature oscillations under boiling conditions demonstrated clearly the merits of using artificial nucleation sites to further stabilize the flow boiling in diverging, parallel microchannels. The stability map showed the plane of subcooling number versus phase change number. It illustrated that diverging, parallel microchannels with artificial nucleation cavities have a much wider stable region than parallel microchannels with uniform cross-sections or diverging, parallel microchannels without artificial nucleation cavities. In addition, the results revealed that the design with cavities distributed uniformly along the downstream half of the channel presented the best stability performance among the three distributions of nucleation sites. This particular design can be regarded as a highly stable microchannel heat sink for convective boiling

A study of the rates of heat transfer and bubble site density for nucleate boiling on an inclined heating surface

International Nuclear Information System (INIS)

Bonamy, S.E.; Symons, J.G.

1974-08-01

Nucleate pool boiling of distilled water from an electrically heated surface at atmospheric pressure is studied for varying heating surface inclinations. The constants of the accepted boiling equation phi = K Tsup(B) and the Rohsenow Correlation Coefficient are found to be dependent on surface orientation. Convection cooling is observed to play a major role in pool boiling phenomena and causes large changes in the heat transfer rates for a given excess of temperature of the heated surface. Active nucleation site density is studied and found to be independent of surface inclination. Empirical relations are presented to provide an understanding of the effects of inclination on other boiling parameters. (author)

Crystallographic Analysis of Nucleation at Hardness Indentations in High-Purity Aluminum

DEFF Research Database (Denmark)

Xu, Chaoling; Zhang, Yubin; Lin, Fengxiang

2016-01-01

Nucleation at Vickers hardness indentations has been studied in high-purity aluminum cold-rolled 12 pct. Electron channeling contrast was used to measure the size of the indentations and to detect nuclei, while electron backscattering diffraction was used to determine crystallographic orientations....... It is found that indentations are preferential nucleation sites. The crystallographic orientations of the deformed grains affect the hardness and the nucleation potentials at the indentations. Higher hardness gives increased nucleation probabilities. Orientation relationships between nuclei developed...... they form. Finally, possible nucleation mechanisms are briefly discussed....

Atmospheric nucleation: highlights of the EUCAARI project and future directions

Directory of Open Access Journals (Sweden)

V.-M. Kerminen

2010-11-01

Full Text Available Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions, atmospheric nucleation was studied by (i developing and testing new air ion and cluster spectrometers, (ii conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii investigating atmospheric nucleation mechanism under field conditions, and (iv applying new theoretical and modelling tools for data interpretation and development of parameterisations. The current paper provides a synthesis of the obtained results and identifies the remaining major knowledge gaps related to atmospheric nucleation. The most important technical achievement of the project was the development of new instruments for measuring sub-3 nm particle populations, along with the extensive application of these instruments in both the laboratory and the field. All the results obtained during EUCAARI indicate that sulphuric acid plays a central role in atmospheric nucleation. However, also vapours other than sulphuric acid are needed to explain the nucleation and the subsequent growth processes, at least in continental boundary layers. Candidate vapours in this respect are some organic compounds, ammonia, and especially amines. Both our field and laboratory data demonstrate that the nucleation rate scales to the first or second power of the nucleating vapour concentration(s. This agrees with the few earlier field observations, but is in stark contrast with classical thermodynamic nucleation theories. The average formation rates of 2-nm particles were found to vary by almost two orders of magnitude between the different EUCAARI sites, whereas the formation rates of charged 2-nm particles varied very little between the sites. Overall, our observations are indicative of frequent, yet moderate, ion-induced nucleation usually outweighed by much stronger neutral nucleation events in the continental lower troposphere. The most concrete

Incorporating C60 as Nucleation Sites Optimizing PbI2 Films To Achieve Perovskite Solar Cells Showing Excellent Efficiency and Stability via Vapor-Assisted Deposition Method.

Science.gov (United States)

Chen, Hai-Bin; Ding, Xi-Hong; Pan, Xu; Hayat, Tasawar; Alsaedi, Ahmed; Ding, Yong; Dai, Song-Yuan

2018-01-24

To achieve high-quality perovskite solar cells (PSCs), the morphology and carrier transportation of perovskite films need to be optimized. Herein, C 60 is employed as nucleation sites in PbI 2 precursor solution to optimize the morphology of perovskite films via vapor-assisted deposition process. Accompanying the homogeneous nucleation of PbI 2 , the incorporation of C 60 as heterogeneous nucleation sites can lower the nucleation free energy of PbI 2 , which facilitates the diffusion and reaction between PbI 2 and organic source. Meanwhile, C 60 could enhance carrier transportation and reduce charge recombination in the perovskite layer due to its high electron mobility and conductivity. In addition, the grain sizes of perovskite get larger with C 60 optimizing, which can reduce the grain boundaries and voids in perovskite and prevent the corrosion because of moisture. As a result, we obtain PSCs with a power conversion efficiency (PCE) of 18.33% and excellent stability. The PCEs of unsealed devices drop less than 10% in a dehumidification cabinet after 100 days and remain at 75% of the initial PCE during exposure to ambient air (humidity > 60% RH, temperature > 30 °C) for 30 days.

Duplex Heterogeneous Nucleation Behavior of Precipitates in C-Mn Steel Containing Sn

Science.gov (United States)

Sun, Guilin; Tao, Sufen

2018-04-01

The two successive heterogeneous nucleation behaviors of FeSn2-MnS-Al2O3 complex precipitates in ultrahigh Sn-bearing steel were investigated. First, Al2O3 was the nucleation site of the MnS at the end of solidification. Then, FeSn2 nucleated heterogeneously on the MnS particles that nucleated on the Al2O3 particles. The formation sequence of the precipitated phase caused the duplex heterogeneous nucleation to occur consecutively at most twice.

Inhomogenous Dislocation Nucleation Based on Atom Potential in Hexagonal Noncentrosymmetric Crystal Sheet

International Nuclear Information System (INIS)

Xue-Chuan, Zhao; Xiao-Ming, Liu; Zhuo, Zhuang; Zhan-Li, Liu; Yuan, Gao

2010-01-01

By introducing internal degree, the deformation of hexagonal noncentrosymmetric crystal sheet can be described by the revised Cauchy–Born rule based on atomic potential. The instability criterion is deduced to investigate the inhomogeneous dislocation nucleation behavior of the crystal sheet under simple loading. The anisotropic characters of dislocation nucleation under uniaxial tension are studied by using the continuum method associated with the instability criterion. The results show a strong relationship between yield stress and crystal sheet chirality. The results also indicate that the instability criterion has sufficient ability to capture the dislocation nucleation site and expansion. To observe the internal dislocation phenomenon, the prediction of the dislocation nucleation site and expansion domain is illustrated by MD simulations. The developed method is another way to explain the dislocation nucleation phenomenon. (condensed matter: structure, mechanical and thermal properties)

Microtubule nucleation and organization in dendrites

Science.gov (United States)

Delandre, Caroline; Amikura, Reiko; Moore, Adrian W.

2016-01-01

ABSTRACT Dendrite branching is an essential process for building complex nervous systems. It determines the number, distribution and integration of inputs into a neuron, and is regulated to create the diverse dendrite arbor branching patterns characteristic of different neuron types. The microtubule cytoskeleton is critical to provide structure and exert force during dendrite branching. It also supports the functional requirements of dendrites, reflected by differential microtubule architectural organization between neuron types, illustrated here for sensory neurons. Both anterograde and retrograde microtubule polymerization occur within growing dendrites, and recent studies indicate that branching is enhanced by anterograde microtubule polymerization events in nascent branches. The polarities of microtubule polymerization events are regulated by the position and orientation of microtubule nucleation events in the dendrite arbor. Golgi outposts are a primary microtubule nucleation center in dendrites and share common nucleation machinery with the centrosome. In addition, pre-existing dendrite microtubules may act as nucleation sites. We discuss how balancing the activities of distinct nucleation machineries within the growing dendrite can alter microtubule polymerization polarity and dendrite branching, and how regulating this balance can generate neuron type-specific morphologies. PMID:27097122

Nucleation at hardness indentations in cold rolled Al

DEFF Research Database (Denmark)

Xu, C.L.; Zhang, Yubin; Wu, G.L.

2015-01-01

Nucleation of recrystallization near hardness indentations has been investigated in slightly cold rolled high purity aluminium. Samples were cold rolled to 12% and 20% reductions in thickness and indentations were done with two different loads (500 g and 2000 g). The samples were annealed at 300 °C...... for 1 h and nuclei were identified. It is found that the indentations are preferential nucleation sites. With EBSD maps around indentation tips, the orientation relationship between nuclei and matrix is analyzed. Finally, effects of rolling reduction and indentation load on local misorientations...... and stored energy distributions and thus on nucleation are discussed....

Nucleation and growth of apatite on NaOH-treated PEEK, HDPE and UHMWPE for artificial cornea materials.

Science.gov (United States)

Pino, M; Stingelin, N; Tanner, K E

2008-11-01

The skirt of an artificial cornea must integrate the implant to the host sclera, a major failure of present devices. Thus, it is highly desirable to encourage the metabolic activity of the cornea by using more bioactive, flexible skirt materials. Here we describe attempts to increase the bioactivity of polyether ether ketone (PEEK), high-density polyethylene (HDPE) and ultra-high molecular weight polyethylene (UHMWPE) films. The effectiveness of different strength NaOH pre-treatments to initiate apatite deposition on PEEK, HDPE and UHMWPE is investigated. We find that exposure of PEEK, HDPE and UHMWPE films to NaOH solutions induces the formation of potential nuclei for apatite (calcium phosphate), from which the growth of an apatite coating is stimulated when subsequently immersing the polymer films in 1.5 strength Simulated Body Fluid (SBF). As immersion time in SBF increases, further nucleation and growth produces a thicker and more compact apatite coating that can be expected to be highly bioactive. Interestingly, the apatite growth is found to also be dependent on both the concentration of NaOH solution and the structure of the polymer surface.

Nonrandom γ-TuNA-dependent spatial pattern of microtubule nucleation at the Golgi.

Science.gov (United States)

Sanders, Anna A W M; Chang, Kevin; Zhu, Xiaodong; Thoppil, Roslin J; Holmes, William R; Kaverina, Irina

2017-11-07

Noncentrosomal microtubule (MT) nucleation at the Golgi generates MT network asymmetry in motile vertebrate cells. Investigating the Golgi-derived MT (GDMT) distribution, we find that MT asymmetry arises from nonrandom nucleation sites at the Golgi (hotspots). Using computational simulations, we propose two plausible mechanistic models of GDMT nucleation leading to this phenotype. In the "cooperativity" model, formation of a single GDMT promotes further nucleation at the same site. In the "heterogeneous Golgi" model, MT nucleation is dramatically up-regulated at discrete and sparse locations within the Golgi. While MT clustering in hotspots is equally well described by both models, simulating MT length distributions within the cooperativity model fits the data better. Investigating the molecular mechanism underlying hotspot formation, we have found that hotspots are significantly smaller than a Golgi subdomain positive for scaffolding protein AKAP450, which is thought to recruit GDMT nucleation factors. We have further probed potential roles of known GDMT-promoting molecules, including γ-TuRC-mediated nucleation activator (γ-TuNA) domain-containing proteins and MT stabilizer CLASPs. While both γ-TuNA inhibition and lack of CLASPs resulted in drastically decreased GDMT nucleation, computational modeling revealed that only γ-TuNA inhibition suppressed hotspot formation. We conclude that hotspots require γ-TuNA activity, which facilitates clustered GDMT nucleation at distinct Golgi sites. © 2017 Sanders et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Adherent nanoparticles-mediated micro- and nanobubble nucleation

Science.gov (United States)

Chan, Chon U.; Chen, Long Quan; Lippert, Alexander; Arora, Manish; Ohl, Claus-Dieter

2014-11-01

Surface nanobubbles are commonly nucleated through water-ethanol-water exchange. It is believed that the higher gas solubility in ethanol and exothermic mixing leads to a supersaturation of gas in water. However details of the nucleation dynamic are still unknown. Here we apply the exchange process onto a glass surface deposited with nanoparticles and monitor the dynamics optically at video frame rates. During exchange bubbles of a few micron in diameter nucleate at the sites of nanoparticles. These microbubbles eventually dissolve in ethanol but are stable in water. This agrees with the nucleation process observed for surface nanobubbles. Also we find a reduction of surface attached nanobubbles near the particles, which might be due to gas uptake from the microbubble growth. Finally, high speed recordings reveal stick-slip motion of the triple contact line during the growth process. We will discuss possibilities of utilizing the findings for contamination detection and ultrasonic cleaning.

Artificial neural network for on-site quantitative analysis of soils using laser induced breakdown spectroscopy

Energy Technology Data Exchange (ETDEWEB)

El Haddad, J. [Univ. Bordeaux, LOMA, UMR 5798, F-33400 Talence (France); CNRS, LOMA, UMR 5798, F-33400 Talence (France); Villot-Kadri, M.; Ismaël, A.; Gallou, G. [IVEA Solution, Centre Scientifique d' Orsay, Bât 503, 91400 Orsay (France); Michel, K.; Bruyère, D.; Laperche, V. [BRGM, Service Métrologie, Monitoring et Analyse, 3 avenue Claude Guillemin, B.P 36009, 45060 Orléans Cedex (France); Canioni, L. [Univ. Bordeaux, LOMA, UMR 5798, F-33400 Talence (France); CNRS, LOMA, UMR 5798, F-33400 Talence (France); Bousquet, B., E-mail: bruno.bousquet@u-bordeaux1.fr [Univ. Bordeaux, LOMA, UMR 5798, F-33400 Talence (France); CNRS, LOMA, UMR 5798, F-33400 Talence (France)

2013-01-01

Nowadays, due to environmental concerns, fast on-site quantitative analyses of soils are required. Laser induced breakdown spectroscopy is a serious candidate to address this challenge and is especially well suited for multi-elemental analysis of heavy metals. However, saturation and matrix effects prevent from a simple treatment of the LIBS data, namely through a regular calibration curve. This paper details the limits of this approach and consequently emphasizes the advantage of using artificial neural networks well suited for non-linear and multi-variate calibration. This advanced method of data analysis is evaluated in the case of real soil samples and on-site LIBS measurements. The selection of the LIBS data as input data of the network is particularly detailed and finally, resulting errors of prediction lower than 20% for aluminum, calcium, copper and iron demonstrate the good efficiency of the artificial neural networks for on-site quantitative LIBS of soils. - Highlights: ► We perform on-site quantitative LIBS analysis of soil samples. ► We demonstrate that univariate analysis is not convenient. ► We exploit artificial neural networks for LIBS analysis. ► Spectral lines other than the ones from the analyte must be introduced.

Artificial neural network for on-site quantitative analysis of soils using laser induced breakdown spectroscopy

International Nuclear Information System (INIS)

El Haddad, J.; Villot-Kadri, M.; Ismaël, A.; Gallou, G.; Michel, K.; Bruyère, D.; Laperche, V.; Canioni, L.; Bousquet, B.

2013-01-01

Nowadays, due to environmental concerns, fast on-site quantitative analyses of soils are required. Laser induced breakdown spectroscopy is a serious candidate to address this challenge and is especially well suited for multi-elemental analysis of heavy metals. However, saturation and matrix effects prevent from a simple treatment of the LIBS data, namely through a regular calibration curve. This paper details the limits of this approach and consequently emphasizes the advantage of using artificial neural networks well suited for non-linear and multi-variate calibration. This advanced method of data analysis is evaluated in the case of real soil samples and on-site LIBS measurements. The selection of the LIBS data as input data of the network is particularly detailed and finally, resulting errors of prediction lower than 20% for aluminum, calcium, copper and iron demonstrate the good efficiency of the artificial neural networks for on-site quantitative LIBS of soils. - Highlights: ► We perform on-site quantitative LIBS analysis of soil samples. ► We demonstrate that univariate analysis is not convenient. ► We exploit artificial neural networks for LIBS analysis. ► Spectral lines other than the ones from the analyte must be introduced

Wildlife Contact Rates at Artificial Feeding Sites in Texas

Science.gov (United States)

Campbell, Tyler A.; Long, David B.; Shriner, Susan A.

2013-06-01

Given the popularity of feeding white-tailed deer ( Odocoileus virginianus) in Texas and the increasing amount of corn that is distributed, more information is needed on the impacts of this activity on non-target wildlife. Our objectives were to report visitation, intra- and interspecific contact, and contact rates of wildlife at artificial feeding sites in Texas. Our study was conducted at three sites in Kleberg and Nueces counties, Texas. We trapped animals from February to April and August to September, 2009 and marked animals with passive integrated transponder (PIT) tags. At each site and season, we placed one feeder system containing a PIT tag reader within 600 m of trap locations. Readers detected PIT tags from a distance of 25 cm. We determined a contact event to occur when two different PIT tags were detected by feeder systems within 5 s. We recorded 62,719 passes by raccoons ( Procyon lotor), 103,512 passes by collared peccaries ( Pecari tajacu), 2,923 passes by feral swine ( Sus scrofa), 1,336 passes by fox squirrels ( Sciurus niger), and no passes by opossums ( Didelphis virginiana) at feeder systems. For site-season combinations in which contact events occurred, we found intraspecific contact rates (contacts per day) for raccoons, collared peccaries, and feral swine to be 0.81-124.77, 0.69-38.08, and 0.0-0.66, respectively. Throughout our study we distributed ~2,625 kg of whole kernel corn, which resulted in 6,351 contact events between marked wildlife (2.4 contacts per kg of corn). If 136 million kg of corn is distributed in Texas annually, we would expect >5.2 billion unnatural contact events between wildlife would result from this activity each year in Texas. Consequently, we do not believe that it is wise for natural resource managers to maintain artificial feeding sites for white-tailed deer or other wildlife due to pathogen transmission risks.

Thermokinetics of heterogeneous droplet nucleation on conically textured substrates.

Science.gov (United States)

Singha, Sanat K; Das, Prasanta K; Maiti, Biswajit

2015-11-28

Within the framework of the classical theory of heterogeneous nucleation, a thermokinetic model is developed for line-tension-associated droplet nucleation on conical textures considering growth or shrinkage of the formed cluster due to both interfacial and peripheral monomer exchange and by considering different geometric configurations. Along with the principle of free energy extremization, Katz kinetic approach has been employed to study the effect of substrate conicity and wettability on the thermokinetics of heterogeneous water droplet nucleation. Not only the peripheral tension is found to have a considerable effect on the free energy barrier but also the substrate hydrophobicity and hydrophilicity are observed to switch over their roles between conical crest and trough for different growth rates of the droplet. Besides, the rate of nucleation increases and further promotes nucleation for negative peripheral tension as it diminishes the free energy barrier appreciably. Moreover, nucleation inhibition can be achievable for positive peripheral tension due to the enhancement of the free energy barrier. Analyzing all possible geometric configurations, the hydrophilic narrower conical cavity is found to be the most preferred nucleation site. These findings suggest a physical insight into the context of surface engineering for the promotion or the suppression of nucleation on real or engineered substrates.

On the discrimination between nucleation and propagation in nanomagnetic logic devices

Science.gov (United States)

Ziemys, Grazvydas; Csaba, Gyorgy; Becherer, Markus

2018-05-01

In this paper we present the extensive nucleation and propagation characterization of fabricated nanomagnets by applying ns-range magnetic field pulses. For that, an artificial nucleation center (ANC) is created by focused ion beam irradiation (FIB) of a 50 x 50 nm area at the side of a Co/Pt island as typically used in Nanomagnetic Logic with perpendicular anisotropy (pNML). Laser-Kerr Microscope is applied for statistical evaluation of the switching probability of the whole magnet, while the wide-field-Kerr microscopy is employed to discriminate between the nucleation process (which takes place at the irradiated ANC area) and the domain wall propagation process along the magnet. We show that the nanomagnet can be treated as a single Stoner-Wolfhart particle above 100 ns field-pulse width, as the whole magnetization is switched during the field-pulse. By contrary, for field-pulse width below 100 ns, the domain wall (DW) motion is the limiting process hindering full magnetization reversal on that time-scale. However, the nucleation still follows the Arrhenius law. The results allow precise understanding of the reversal process and highlight the need for faster DW speed in pNML materials.

On the discrimination between nucleation and propagation in nanomagnetic logic devices

Directory of Open Access Journals (Sweden)

Grazvydas Ziemys

2018-05-01

Full Text Available In this paper we present the extensive nucleation and propagation characterization of fabricated nanomagnets by applying ns-range magnetic field pulses. For that, an artificial nucleation center (ANC is created by focused ion beam irradiation (FIB of a 50 x 50 nm area at the side of a Co/Pt island as typically used in Nanomagnetic Logic with perpendicular anisotropy (pNML. Laser-Kerr Microscope is applied for statistical evaluation of the switching probability of the whole magnet, while the wide-field-Kerr microscopy is employed to discriminate between the nucleation process (which takes place at the irradiated ANC area and the domain wall propagation process along the magnet. We show that the nanomagnet can be treated as a single Stoner-Wolfhart particle above 100 ns field-pulse width, as the whole magnetization is switched during the field-pulse. By contrary, for field-pulse width below 100 ns, the domain wall (DW motion is the limiting process hindering full magnetization reversal on that time-scale. However, the nucleation still follows the Arrhenius law. The results allow precise understanding of the reversal process and highlight the need for faster DW speed in pNML materials.

Two types of amorphous protein particles facilitate crystal nucleation.

Science.gov (United States)

Yamazaki, Tomoya; Kimura, Yuki; Vekilov, Peter G; Furukawa, Erika; Shirai, Manabu; Matsumoto, Hiroaki; Van Driessche, Alexander E S; Tsukamoto, Katsuo

2017-02-28

Nucleation, the primary step in crystallization, dictates the number of crystals, the distribution of their sizes, the polymorph selection, and other crucial properties of the crystal population. We used time-resolved liquid-cell transmission electron microscopy (TEM) to perform an in situ examination of the nucleation of lysozyme crystals. Our TEM images revealed that mesoscopic clusters, which are similar to those previously assumed to consist of a dense liquid and serve as nucleation precursors, are actually amorphous solid particles (ASPs) and act only as heterogeneous nucleation sites. Crystalline phases never form inside them. We demonstrate that a crystal appears within a noncrystalline particle assembling lysozyme on an ASP or a container wall, highlighting the role of heterogeneous nucleation. These findings represent a significant departure from the existing formulation of the two-step nucleation mechanism while reaffirming the role of noncrystalline particles. The insights gained may have significant implications in areas that rely on the production of protein crystals, such as structural biology, pharmacy, and biophysics, and for the fundamental understanding of crystallization mechanisms.

Forming artificial soils from waste materials for mine site rehabilitation

Science.gov (United States)

Yellishetty, Mohan; Wong, Vanessa; Taylor, Michael; Li, Johnson

2014-05-01

Surface mining activities often produce large volumes of solid wastes which invariably requires the removal of significant quantities of waste rock (overburden). As mines expand, larger volumes of waste rock need to be moved which also require extensive areas for their safe disposal and containment. The erosion of these dumps may result in landform instability, which in turn may result in exposure of contaminants such as trace metals, elevated sediment delivery in adjacent waterways, and the subsequent degradation of downstream water quality. The management of solid waste materials from industrial operations is also a key component for a sustainable economy. For example, in addition to overburden, coal mines produce large amounts of waste in the form of fly ash while sewage treatment plants require disposal of large amounts of compost. Similarly, paper mills produce large volumes of alkaline rejected wood chip waste which is usually disposed of in landfill. These materials, therefore, presents a challenge in their use, and re-use in the rehabilitation of mine sites and provides a number of opportunities for innovative waste disposal. The combination of solid wastes sourced from mines, which are frequently nutrient poor and acidic, with nutrient-rich composted material produced from sewage treatment and alkaline wood chip waste has the potential to lead to a soil suitable for mine rehabilitation and successful seed germination and plant growth. This paper presents findings from two pilot projects which investigated the potential of artificial soils to support plant growth for mine site rehabilitation. We found that pH increased in all the artificial soil mixtures and were able to support plant establishment. Plant growth was greatest in those soils with the greatest proportion of compost due to the higher nutrient content. These pot trials suggest that the use of different waste streams to form an artificial soil can potentially be used in mine site rehabilitation

Temperature Dependence in Homogeneous and Heterogeneous Nucleation

Energy Technology Data Exchange (ETDEWEB)

McGraw R. L.; Winkler, P. M.; Wagner, P. E.

2017-08-01

Heterogeneous nucleation on stable (sub-2 nm) nuclei aids the formation of atmospheric cloud condensation nuclei (CCN) by circumventing or reducing vapor pressure barriers that would otherwise limit condensation and new particle growth. Aerosol and cloud formation depend largely on the interaction between a condensing liquid and the nucleating site. A new paper published this year reports the first direct experimental determination of contact angles as well as contact line curvature and other geometric properties of a spherical cap nucleus at nanometer scale using measurements from the Vienna Size Analyzing Nucleus Counter (SANC) (Winkler et al., 2016). For water nucleating heterogeneously on silver oxide nanoparticles we find contact angles around 15 degrees compared to around 90 degrees for the macroscopically measured equilibrium angle for water on bulk silver. The small microscopic contact angles can be attributed via the generalized Young equation to a negative line tension that becomes increasingly dominant with increasing curvature of the contact line. These results enable a consistent theoretical description of heterogeneous nucleation and provide firm insight to the wetting of nanosized objects.

Nanoscale-Agglomerate-Mediated Heterogeneous Nucleation.

Science.gov (United States)

Cha, Hyeongyun; Wu, Alex; Kim, Moon-Kyung; Saigusa, Kosuke; Liu, Aihua; Miljkovic, Nenad

2017-12-13

Water vapor condensation on hydrophobic surfaces has received much attention due to its ability to rapidly shed water droplets and enhance heat transfer, anti-icing, water harvesting, energy harvesting, and self-cleaning performance. However, the mechanism of heterogeneous nucleation on hydrophobic surfaces remains poorly understood and is attributed to defects in the hydrophobic coating exposing the high surface energy substrate. Here, we observe the formation of high surface energy nanoscale agglomerates on hydrophobic coatings after condensation/evaporation cycles in ambient conditions. To investigate the deposition dynamics, we studied the nanoscale agglomerates as a function of condensation/evaporation cycles via optical and field emission scanning electron microscopy (FESEM), microgoniometric contact angle measurements, nucleation statistics, and energy dispersive X-ray spectroscopy (EDS). The FESEM and EDS results indicated that the nanoscale agglomerates stem from absorption of sulfuric acid based aerosol particles inside the droplet and adsorption of volatile organic compounds such as methanethiol (CH 3 SH), dimethyl disulfide (CH 3 SSCH), and dimethyl trisulfide (CH 3 SSSCH 3 ) on the liquid-vapor interface during water vapor condensation, which act as preferential sites for heterogeneous nucleation after evaporation. The insights gained from this study elucidate fundamental aspects governing the behavior of both short- and long-term heterogeneous nucleation on hydrophobic surfaces, suggest previously unexplored microfabrication and air purification techniques, and present insights into the challenges facing the development of durable dropwise condensing surfaces.

Nucleation of dislocations from [0 0 1] bicrystal interfaces in aluminum

International Nuclear Information System (INIS)

Spearot, Douglas E.; Jacob, Karl I.; McDowell, David L.

2005-01-01

It is well established from molecular dynamics simulations that grain boundaries in nanocrystalline samples serve as sources of dislocations. In this work, we use molecular dynamics simulations to study the mechanisms associated with dislocation nucleation from bicrystal [0 0 1] interfaces in aluminum. Three interface misorientations are studied, including the Σ5 (3 1 0) boundary, which has a high density of coincident atomic sites. Molecular dynamics simulations show that full dislocation loops are nucleated from each interface during uniaxial tension. After the second partial dislocation is emitted, a ledge remains within the interface at the intersection of the slip plane and the bicrystal boundary. A disclination dipole model is proposed for the structure of the distorted interface accounting for local lattice rotations and the ledge at the nucleation site

A note on the nucleation with multiple steps: Parallel and series nucleation

OpenAIRE

Iwamatsu, Masao

2012-01-01

Parallel and series nucleation are the basic elements of the complex nucleation process when two saddle points exist on the free-energy landscape. It is pointed out that the nucleation rates follow formulas similar to those of parallel and series connection of resistors or conductors in an electric circuit. Necessary formulas to calculate individual nucleation rates at the saddle points and the total nucleation rate are summarized and the extension to the more complex nucleation process is su...

Heat-flux enhancement by vapour-bubble nucleation in Rayleigh-Bénard turbulence

NARCIS (Netherlands)

Narezo Guzman, Daniela; Xie, Yanbo; Chen, S.; Fernandez Rivas, David; Sun, Chao; Lohse, Detlef; Ahlers, Günter

2016-01-01

We report on the enhancement of turbulent convective heat transport due to vapour-bubble nucleation at the bottom plate of a cylindrical Rayleigh–Bénard sample (aspect ratio 1.00, diameter 8.8 cm) filled with liquid. Microcavities acted as nucleation sites, allowing for well-controlled bubble

Cavitation nucleation in gelatin: Experiment and mechanism.

Science.gov (United States)

Kang, Wonmo; Adnan, Ashfaq; O'Shaughnessy, Thomas; Bagchi, Amit

2018-02-01

Dynamic cavitation in soft materials is becoming increasingly relevant due to emerging medical implications such as the potential of cavitation-induced brain injury or cavitation created by therapeutic medical devices. However, the current understanding of dynamic cavitation in soft materials is still very limited, mainly due to lack of robust experimental techniques. To experimentally characterize cavitation nucleation under dynamic loading, we utilize a recently developed experimental instrument, the integrated drop tower system. This technique allows quantitative measurements of the critical acceleration (a cr ) that corresponds to cavitation nucleation while concurrently visualizing time evolution of cavitation. Our experimental results reveal that a cr increases with increasing concentration of gelatin in pure water. Interestingly, we have observed the distinctive transition from a sharp increase (pure water to 1% gelatin) to a much slower rate of increase (∼10× slower) between 1% and 7.5% gelatin. Theoretical cavitation criterion predicts the general trend of increasing a cr , but fails to explain the transition rates. As a likely mechanism, we consider concentration-dependent material properties and non-spherical cavitation nucleation sites, represented by pre-existing bubbles in gels, due to possible interplay between gelatin molecules and nucleation sites. This analysis shows that cavitation nucleation is very sensitive to the initial configuration of a bubble, i.e., a non-spherical bubble can significantly increase a cr . This conclusion matches well with the experimentally observed liquid-to-gel transition in the critical acceleration for cavitation nucleation. From a medical standpoint, understanding dynamic cavitation within soft materials, i.e., tissues, is important as there are both potential injury implications (blast-induced cavitation within the brain) as well as treatments utilizing the phenomena (lithotripsy). In this regard, the main

A note on the nucleation with multiple steps: parallel and series nucleation.

Science.gov (United States)

Iwamatsu, Masao

2012-01-28

Parallel and series nucleation are the basic elements of the complex nucleation process when two saddle points exist on the free-energy landscape. It is pointed out that the nucleation rates follow formulas similar to those of parallel and series connection of resistors or conductors in an electric circuit. Necessary formulas to calculate individual nucleation rates at the saddle points and the total nucleation rate are summarized, and the extension to the more complex nucleation process is suggested. © 2012 American Institute of Physics

Regulation of microtubule nucleation mediated by gamma-tubulin complexes

Czech Academy of Sciences Publication Activity Database

Sulimenko, Vadym; Hájková, Zuzana; Klebanovych, Anastasiya; Dráber, Pavel

2017-01-01

Roč. 254, č. 3 (2017), s. 1187-1199 ISSN 0033-183X R&D Projects: GA MŠk(CZ) LD13015 Institutional support: RVO:68378050 Keywords : mitotic spindle formation * ring complex * fission yeast * organizing centers * protein complex * golgi-complex * cell-cycle * pole body * augmin * centrosome * Centrosomes * Microtubule nucleation * Microtubule-organizing centers * Non-centrosomal nucleation sites * Spindle pole bodies * gamma-Tubulin complexes Subject RIV: EB - Genetics ; Molecular Biology OBOR OECD: Cell biology Impact factor: 2.870, year: 2016

Vapour–to–liquid nucleation: Nucleation theorems for nonisothermal–nonideal case

Energy Technology Data Exchange (ETDEWEB)

Malila, J.; McGraw, R.; Napari, I.; Laaksonen, A.

2010-08-29

Homogeneous vapour-to-liquid nucleation, a basic process of aerosol formation, is often considered as a type example of nucleation phenomena, while most treatment of the subject introduce several simplifying assumptions (ideal gas phase, incompressible nucleus, isothermal kinetics, size-independent surface free energy...). During last decades, nucleation theorems have provided new insights into properties of critical nuclei facilitating direct comparison between laboratory experiments and molecular simulations. These theorems are, despite of their generality, often applied in forms where the aforementioned assumptions are made. Here we present forms of nucleation theorems that explicitly take into account these effects and allow direct estimation of their importance. Only assumptions are Arrhenius-type kinetics of nucleation process and exclusion carrier gas molecules from the critical nucleus.

Nucleation in the atmosphere

International Nuclear Information System (INIS)

Hegg, D A; Baker, M B

2009-01-01

Small particles play major roles in modulating radiative and hydrological fluxes in the atmosphere and thus they impact both climate (IPCC 2007) and weather. Most atmospheric particles outside clouds are created in situ through nucleation from gas phase precursors and most ice particles within clouds are formed by nucleation, usually from the liquid. Thus, the nucleation process is of great significance in the Earth's atmosphere. The theoretical examination of nucleation in the atmosphere has been based mostly on classical nucleation theory. While diagnostically very useful, the prognostic skill demonstrated by this approach has been marginal. Microscopic approaches such as molecular dynamics and density functional theory have also proven useful in elucidating various aspects of the process but are not yet sufficiently refined to offer a significant prognostic advantage to the classical approach, due primarily to the heteromolecular nature of atmospheric nucleation. An important aspect of the nucleation process in the atmosphere is that the degree of metastability of the parent phase for the nucleation is modulated by a number of atmospheric processes such as condensation onto pre-existing particles, updraft velocities that are the main driving force for supersaturation of water (a major factor in all atmospheric nucleation), and photochemical production rates of nucleation precursors. Hence, atmospheric nucleation is both temporally and spatially inhomogeneous

Nucleation and adhesion of diamond films on Co cemented tungsten carbide

Energy Technology Data Exchange (ETDEWEB)

Polini, R.; Santarelli, M.; Traversa, E.

1999-12-01

Diamond deposits were grown using hot filament chemical vapor deposition (CVD) on pretreated Co cemented tungsten carbide (WC-Co) substrates with an average grain size of 6 {micro}m. Depositions were performed with 0.5 or 1.0% methane concentration and with substrate temperatures ranging from 750 to 1,000 C. Diamond nucleation densities were measured by scanning electron microscopy. Scratched and bias-enhanced nucleation pretreated substrates showed the larger nucleation densities. Etching of the WC performed by Murakami's reagent, followed by surface-Co dissolution (MP pretreatment), led to a roughened but scarcely nucleating surface. The performance of a scratching prior to the MP pretreatment allowed one to increase the nucleation density, due scratching-induced defects, confined in the outermost layer of WC grains, which act as nucleation sites. Smaller nucleation densities were observed with increasing the substrate temperature and reducing the methane concentration, confirming that diamond nucleates via a heterogeneous process. The adhesion of continuous films was evaluated by the reciprocal of the slope of crack radius-indentation load functions. The substrate pretreatments mainly affected the film adhesion, while the influence of CVD process conditions was minor. The two main factors that improve the diamond film adhesion are the coating-substrate contact area and the surface-Co removal.

Heterogeneous Ice Nucleation Ability of NaCl and Sea Salt Aerosol Particles at Cirrus Temperatures

Science.gov (United States)

Wagner, Robert; Kaufmann, Julia; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Ullrich, Romy; Leisner, Thomas

2018-03-01

In situ measurements of the composition of heterogeneous cirrus ice cloud residuals have indicated a substantial contribution of sea salt in sampling regions above the ocean. We have investigated the heterogeneous ice nucleation ability of sodium chloride (NaCl) and sea salt aerosol (SSA) particles at cirrus cloud temperatures between 235 and 200 K in the Aerosol Interaction and Dynamics in the Atmosphere aerosol and cloud chamber. Effloresced NaCl particles were found to act as ice nucleating particles in the deposition nucleation mode at temperatures below about 225 K, with freezing onsets in terms of the ice saturation ratio, Sice, between 1.28 and 1.40. Above 225 K, the crystalline NaCl particles deliquesced and nucleated ice homogeneously. The heterogeneous ice nucleation efficiency was rather similar for the two crystalline forms of NaCl (anhydrous NaCl and NaCl dihydrate). Mixed-phase (solid/liquid) SSA particles were found to act as ice nucleating particles in the immersion freezing mode at temperatures below about 220 K, with freezing onsets in terms of Sice between 1.24 and 1.42. Above 220 K, the SSA particles fully deliquesced and nucleated ice homogeneously. Ice nucleation active surface site densities of the SSA particles were found to be in the range between 1.0 · 1010 and 1.0 · 1011 m-2 at T < 220 K. These values are of the same order of magnitude as ice nucleation active surface site densities recently determined for desert dust, suggesting a potential contribution of SSA particles to low-temperature heterogeneous ice nucleation in the atmosphere.

Study of the legal problems raised by the siting of nuclear power stations in artificial islands

International Nuclear Information System (INIS)

Hebert, J.; Guieze, J.L.

1975-01-01

The creation and operation of a nuclear power station on an artificial island in French waters are governed by domestic law and are subject to two types of procedure: the first concerns erection of the artificial island and the second the control of the public authorities over creation and operation of the nuclear power station. At administrative level, the setting up of an artificial island requires that it be attached to a commune as well as permission for occupancy from the maritime authorities. Furthermore, setting up of a nuclear power station on an artificial island is subject to the licensing procedure for large nuclear installations and to delivery of the licenses required for release of gaseous and liquid radioactive effluents. Given the proximity of the high seas and eventually, the borders of other States, siting of a nuclear power station on an artificial island imposes obligations at international level. These requirements, which concern prevention of transfrontier pollution, stem from the London (1972) and Paris (1974) Conventions on marine pollution. The third party liability regime for a nuclear incident caused by an installation sited in territorial seas is that of the 1960 Paris Convention on third party liability in the nuclear field and the 1963 Brussels Supplementary Convention. Another problem likely to be raised is that of the right of innocent passage of ships near such installations [fr

Dynamics of homogeneous nucleation

DEFF Research Database (Denmark)

Toxværd, Søren

2015-01-01

The classical nucleation theory for homogeneous nucleation is formulated as a theory for a density fluctuation in a supersaturated gas at a given temperature. But molecular dynamics simulations reveal that it is small cold clusters which initiates the nucleation. The temperature in the nucleating...

Two-Dimensional Nucleation on the Terrace of Colloidal Crystals with Added Polymers.

Science.gov (United States)

Nozawa, Jun; Uda, Satoshi; Guo, Suxia; Hu, Sumeng; Toyotama, Akiko; Yamanaka, Junpei; Okada, Junpei; Koizumi, Haruhiko

2017-04-04

Understanding nucleation dynamics is important both fundamentally and technologically in materials science and other scientific fields. Two-dimensional (2D) nucleation is the predominant growth mechanism in colloidal crystallization, in which the particle interaction is attractive, and has recently been regarded as a promising method to fabricate varieties of complex nanostructures possessing innovative functionality. Here, polymers are added to a colloidal suspension to generate a depletion attractive force, and the detailed 2D nucleation process on the terrace of the colloidal crystals is investigated. In the system, we first measured the nucleation rate at various area fractions of particles on the terrace, ϕ area . In situ observations at single-particle resolution revealed that nucleation behavior follows the framework of classical nucleation theory (CNT), such as single-step nucleation pathway and existence of critical size. Characteristic nucleation behavior is observed in that the nucleation and growth stage are clearly differentiated. When many nuclei form in a small area of the terrace, a high density of kink sites of once formed islands makes growth more likely to occur than further nucleation because nucleation has a higher energy barrier than growth. The steady-state homogeneous 2D nucleation rate, J, and the critical size of nuclei, r*, are measured by in situ observations based on the CNT, which enable us to obtain the step free energy, γ, which is an important parameter for characterizing the nucleation process. The γ value is found to change according to the strength of attraction, which is tuned by the concentration of the polymer as a depletant.

On void nucleation

International Nuclear Information System (INIS)

Subbotin, A.V.

1978-01-01

Nucleation of viable voids in irradiated materials is considered. The mechanism of evaporation and absorption of interstitials and vacancies disregarding the possibility of void merging is laid down into the basis of the discussion. The effect of irradiated material structure on void nucleation is separated from the effect of the properties of supersaturated solutions of vacancies and interstitials. An analytical expression for the nucleation rate is obtained and analyzed in different cases. The interstitials are concluded to effect severely the nucleation rate of viable voids

Ultra-sound and Artificial Intelligence Applied to the Diagnosis of Insulations in the Site

Institute of Scientific and Technical Information of China (English)

Ferreira TV; Germano A D; Silva K M; CostaE G

2012-01-01

This work studies the feasibility of implementing a system for diagnosis of electrical insulation in the field based on ultrasonic noise and artificial neural networks.Such system,proved functional under laboratory conditions,extracts spectral information from the ultrasonic noise emitted by the corona discharges in electric equipments,and correlates it with previously defined degrees of pollution.To achieve this classification,artificial neural networks are employed.The results show the viability of the method in the site;nevertheless they also show that its reliability is proportional to the size and diversity of the available database.

Interactions between bubble formation and heating surface in nucleate boiling

International Nuclear Information System (INIS)

Luke, Andrea

2009-01-01

The heat transfer and bubble formation is investigated in pool boiling of propane. Size distributions of active nucleation sites on single horizontal copper and steel tubes with different diameter and surface finishes have been calculated from heat transfer measurements over wide ranges of heat flux and selected pressure. The model assumptions of Luke and Gorenflo for the heat transfer near growing and departing bubbles, which were applied in the calculations, have been slightly modified and the calculated results have been compared to experimental investigations by high speed video techniques. The calculated number of active sites shows a good coincidence for the tube with smaller diameter, while the results for the tube with larger diameter describe the same relative increase of the active sites. The comparison of the cumulative size distribution of the active and potential nucleation sites demonstrates the same slope of the curve and that the critical radius of a stable bubble nuclei is smaller than the average cavity size. (author)

Interactions between bubble formation and heating surface in nucleate boiling

Energy Technology Data Exchange (ETDEWEB)

Luke, Andrea [Leibniz University, Hannover (Denmark). Inst. of Thermodynamics], e-mail: ift@ift.uni-hannover.de

2009-07-01

The heat transfer and bubble formation is investigated in pool boiling of propane. Size distributions of active nucleation sites on single horizontal copper and steel tubes with different diameter and surface finishes have been calculated from heat transfer measurements over wide ranges of heat flux and selected pressure. The model assumptions of Luke and Gorenflo for the heat transfer near growing and departing bubbles, which were applied in the calculations, have been slightly modified and the calculated results have been compared to experimental investigations by high speed video techniques. The calculated number of active sites shows a good coincidence for the tube with smaller diameter, while the results for the tube with larger diameter describe the same relative increase of the active sites. The comparison of the cumulative size distribution of the active and potential nucleation sites demonstrates the same slope of the curve and that the critical radius of a stable bubble nuclei is smaller than the average cavity size. (author)

Homogeneous crystal nucleation in polymers.

Science.gov (United States)

Schick, C; Androsch, R; Schmelzer, J W P

2017-11-15

The pathway of crystal nucleation significantly influences the structure and properties of semi-crystalline polymers. Crystal nucleation is normally heterogeneous at low supercooling, and homogeneous at high supercooling, of the polymer melt. Homogeneous nucleation in bulk polymers has been, so far, hardly accessible experimentally, and was even doubted to occur at all. This topical review summarizes experimental findings on homogeneous crystal nucleation in polymers. Recently developed fast scanning calorimetry, with cooling and heating rates up to 10 6 K s -1 , allows for detailed investigations of nucleation near and even below the glass transition temperature, including analysis of nuclei stability. As for other materials, the maximum homogeneous nucleation rate for polymers is located close to the glass transition temperature. In the experiments discussed here, it is shown that polymer nucleation is homogeneous at such temperatures. Homogeneous nucleation in polymers is discussed in the framework of the classical nucleation theory. The majority of our observations are consistent with the theory. The discrepancies may guide further research, particularly experiments to progress theoretical development. Progress in the understanding of homogeneous nucleation is much needed, since most of the modelling approaches dealing with polymer crystallization exclusively consider homogeneous nucleation. This is also the basis for advancing theoretical approaches to the much more complex phenomena governing heterogeneous nucleation.

Nucleation in Synoptically Forced Cirrostratus

Science.gov (United States)

Lin, R.-F.; Starr, D. OC.; Reichardt, J.; DeMott, P. J.

2004-01-01

Formation and evolution of cirrostratus in response to weak, uniform and constant synoptic forcing is simulated using a one-dimensional numerical model with explicit microphysics, in which the particle size distribution in each grid box is fully resolved. A series of tests of the model response to nucleation modes (homogeneous-freezing-only/heterogeneous nucleation) and heterogeneous nucleation parameters are performed. In the case studied here, nucleation is first activated in the prescribed moist layer. A continuous cloud-top nucleation zone with a depth depending on the vertical humidity gradient and one of the nucleation parameters is developed afterward. For the heterogeneous nucleation cases, intermittent nucleation zones in the mid-upper portion of the cloud form where the relative humidity is on the rise, because existent ice crystals do not uptake excess water vapor efficiently, and ice nuclei (IN) are available. Vertical resolution as fine as 1 m is required for realistic simulation of the homogeneous-freezing-only scenario, while the model resolution requirement is more relaxed in the cases where heterogeneous nucleation dominates. Bulk microphysical and optical properties are evaluated and compared. Ice particle number flux divergence, which is due to the vertical gradient of the gravity-induced particle sedimentation, is constantly and rapidly changing the local ice number concentration, even in the nucleation zone. When the depth of the nucleation zone is shallow, particle number concentration decreases rapidly as ice particles grow and sediment away from the nucleation zone. When the depth of the nucleation zone is large, a region of high ice number concentration can be sustained. The depth of nucleation zone is an important parameter to be considered in parametric treatments of ice cloud generation.

Single-fluorophore monitoring of DNA hybridization for investigating the effect of secondary structure on the nucleation step.

Science.gov (United States)

Jo, Joon-Jung; Kim, Min-Ji; Son, Jung-Tae; Kim, Jandi; Shin, Jong-Shik

2009-07-17

Nucleic acid hybridization is one of the essential biological processes involved in storage and transmission of genetic information. Here we quantitatively determined the effect of secondary structure on the hybridization activation energy using structurally defined oligonucleotides. It turned out that activation energy is linearly proportional to the length of a single-stranded region flanking a nucleation site, generating a 0.18 kcal/mol energy barrier per nucleotide. Based on this result, we propose that the presence of single-stranded segments available for non-productive base pairing with a nucleation counterpart extends the searching process for nucleation sites to find a perfect match. This result may provide insights into rational selection of a target mRNA site for siRNA and antisense gene silencing.

The enhancement and suppression of immersion mode heterogeneous ice-nucleation by solutes.

Science.gov (United States)

Whale, Thomas F; Holden, Mark A; Wilson, Theodore W; O'Sullivan, Daniel; Murray, Benjamin J

2018-05-07

Heterogeneous nucleation of ice from aqueous solutions is an important yet poorly understood process in multiple fields, not least the atmospheric sciences where it impacts the formation and properties of clouds. In the atmosphere ice-nucleating particles are usually, if not always, mixed with soluble material. However, the impact of this soluble material on ice nucleation is poorly understood. In the atmospheric community the current paradigm for freezing under mixed phase cloud conditions is that dilute solutions will not influence heterogeneous freezing. By testing combinations of nucleators and solute molecules we have demonstrated that 0.015 M solutions (predicted melting point depression nucleate ice up to around 3 °C warmer than they do in pure water. In contrast, dilute solutions of certain alkali metal halides can dramatically depress freezing points for the same nucleators. At 0.015 M, solutes can enhance or deactivate the ice-nucleating ability of a microcline feldspar across a range of more than 10 °C, which corresponds to a change in active site density of more than a factor of 10 5 . This concentration was chosen for a survey across multiple solutes-nucleant combinations since it had a minimal colligative impact on freezing and is relevant for activating cloud droplets. Other nucleators, for instance a silica gel, are unaffected by these 'solute effects', to within experimental uncertainty. This split in response to the presence of solutes indicates that different mechanisms of ice nucleation occur on the different nucleators or that surface modification of relevance to ice nucleation proceeds in different ways for different nucleators. These solute effects on immersion mode ice nucleation may be of importance in the atmosphere as sea salt and ammonium sulphate are common cloud condensation nuclei (CCN) for cloud droplets and are internally mixed with ice-nucleating particles in mixed-phase clouds. In addition, we propose a pathway dependence where

Overview: Nucleation of clathrate hydrates.

Science.gov (United States)

Warrier, Pramod; Khan, M Naveed; Srivastava, Vishal; Maupin, C Mark; Koh, Carolyn A

2016-12-07

Molecular level knowledge of nucleation and growth of clathrate hydrates is of importance for advancing fundamental understanding on the nature of water and hydrophobic hydrate formers, and their interactions that result in the formation of ice-like solids at temperatures higher than the ice-point. The stochastic nature and the inability to probe the small length and time scales associated with the nucleation process make it very difficult to experimentally determine the molecular level changes that lead to the nucleation event. Conversely, for this reason, there have been increasing efforts to obtain this information using molecular simulations. Accurate knowledge of how and when hydrate structures nucleate will be tremendously beneficial for the development of sustainable hydrate management strategies in oil and gas flowlines, as well as for their application in energy storage and recovery, gas separation, carbon sequestration, seawater desalination, and refrigeration. This article reviews various aspects of hydrate nucleation. First, properties of supercooled water and ice nucleation are reviewed briefly due to their apparent similarity to hydrates. Hydrate nucleation is then reviewed starting from macroscopic observations as obtained from experiments in laboratories and operations in industries, followed by various hydrate nucleation hypotheses and hydrate nucleation driving force calculations based on the classical nucleation theory. Finally, molecular simulations on hydrate nucleation are discussed in detail followed by potential future research directions.

Overview: Nucleation of clathrate hydrates

Science.gov (United States)

Warrier, Pramod; Khan, M. Naveed; Srivastava, Vishal; Maupin, C. Mark; Koh, Carolyn A.

2016-12-01

Molecular level knowledge of nucleation and growth of clathrate hydrates is of importance for advancing fundamental understanding on the nature of water and hydrophobic hydrate formers, and their interactions that result in the formation of ice-like solids at temperatures higher than the ice-point. The stochastic nature and the inability to probe the small length and time scales associated with the nucleation process make it very difficult to experimentally determine the molecular level changes that lead to the nucleation event. Conversely, for this reason, there have been increasing efforts to obtain this information using molecular simulations. Accurate knowledge of how and when hydrate structures nucleate will be tremendously beneficial for the development of sustainable hydrate management strategies in oil and gas flowlines, as well as for their application in energy storage and recovery, gas separation, carbon sequestration, seawater desalination, and refrigeration. This article reviews various aspects of hydrate nucleation. First, properties of supercooled water and ice nucleation are reviewed briefly due to their apparent similarity to hydrates. Hydrate nucleation is then reviewed starting from macroscopic observations as obtained from experiments in laboratories and operations in industries, followed by various hydrate nucleation hypotheses and hydrate nucleation driving force calculations based on the classical nucleation theory. Finally, molecular simulations on hydrate nucleation are discussed in detail followed by potential future research directions.

Ice nucleation properties of fine ash particles from the Eyjafjallajökull eruption in April 2010

Directory of Open Access Journals (Sweden)

I. Steinke

2011-12-01

Full Text Available During the eruption of the Eyjafjallajökull volcano in the south of Iceland in April/May 2010, about 40 Tg of ash mass were emitted into the atmosphere. It was unclear whether volcanic ash particles with d < 10 μm facilitate the glaciation of clouds. Thus, ice nucleation properties of volcanic ash particles were investigated in AIDA (Aerosol Interaction and Dynamics in the Atmosphere cloud chamber experiments simulating atmospherically relevant conditions. The ash sample that was used for our experiments had been collected at a distance of 58 km from the Eyjafjallajökull during the eruption period in April 2010. The temperature range covered by our ice nucleation experiments extended from 219 to 264 K, and both ice nucleation via immersion freezing and deposition nucleation could be observed. Immersion freezing was first observed at 252 K, whereas the deposition nucleation onset lay at 242 K and RH_ice =126%. About 0.1% of the volcanic ash particles were active as immersion freezing nuclei at a temperature of 249 K. For deposition nucleation, an ice fraction of 0.1% was observed at around 233 K and RH_ice =116%. Taking ice-active surface site densities as a measure for the ice nucleation efficiency, volcanic ash particles are similarly efficient ice nuclei in immersion freezing mode (n_s,imm ~ 10⁹ m⁻² at 247 K compared to certain mineral dusts. For deposition nucleation, the observed ice-active surface site densities n_s,dep were found to be 10¹¹ m⁻² at 224 K and RH_ice =116%. Thus, volcanic ash particles initiate deposition nucleation more efficiently than Asian and Saharan dust but appear to be poorer ice nuclei than ATD particles. Based on the experimental data, we have derived ice-active surface site densities as a function of temperature for immersion freezing and of relative humidity over ice and temperature for

On the Ice Nucleation Spectrum

Science.gov (United States)

Barahona, D.

2012-01-01

This work presents a novel formulation of the ice nucleation spectrum, i.e. the function relating the ice crystal concentration to cloud formation conditions and aerosol properties. The new formulation is physically-based and explicitly accounts for the dependency of the ice crystal concentration on temperature, supersaturation, cooling rate, and particle size, surface area and composition. This is achieved by introducing the concepts of ice nucleation coefficient (the number of ice germs present in a particle) and nucleation probability dispersion function (the distribution of ice nucleation coefficients within the aerosol population). The new formulation is used to generate ice nucleation parameterizations for the homogeneous freezing of cloud droplets and the heterogeneous deposition ice nucleation on dust and soot ice nuclei. For homogeneous freezing, it was found that by increasing the dispersion in the droplet volume distribution the fraction of supercooled droplets in the population increases. For heterogeneous ice nucleation the new formulation consistently describes singular and stochastic behavior within a single framework. Using a fundamentally stochastic approach, both cooling rate independence and constancy of the ice nucleation fraction over time, features typically associated with singular behavior, were reproduced. Analysis of the temporal dependency of the ice nucleation spectrum suggested that experimental methods that measure the ice nucleation fraction over few seconds would tend to underestimate the ice nuclei concentration. It is shown that inferring the aerosol heterogeneous ice nucleation properties from measurements of the onset supersaturation and temperature may carry significant error as the variability in ice nucleation properties within the aerosol population is not accounted for. This work provides a simple and rigorous ice nucleation framework where theoretical predictions, laboratory measurements and field campaign data can be

Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

NARCIS (Netherlands)

Braun, S.; Kraska, T.; Kalikmanov, V.I.

2013-01-01

Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

Reduced Ultrafine Particle Concentration in Urban Air: Changes in Nucleation and Anthropogenic Emissions.

Science.gov (United States)

Saha, Provat K; Robinson, Ellis S; Shah, Rishabh U; Zimmerman, Naomi; Apte, Joshua S; Robinson, Allen L; Presto, Albert A

2018-06-19

Nucleation is an important source of ambient ultrafine particles (UFP). We present observational evidence of the changes in the frequency and intensity of nucleation events in urban air by analyzing long-term particle size distribution measurements at an urban background site in Pittsburgh, Pennsylvania during 2001-2002 and 2016-2017. We find that both frequency and intensity of nucleation events have been reduced by 40-50% over the past 15 years, resulting in a 70% reduction in UFP concentrations from nucleation. On average, the particle growth rates are 30% slower than 15 years ago. We attribute these changes to dramatic reductions in SO 2 (more than 90%) and other pollutant concentrations. Overall, UFP concentrations in Pittsburgh have been reduced by ∼48% in the past 15 years, with a ∼70% reduction in nucleation, ∼27% in weekday local sources (e.g., weekday traffic), and 49% in the regional background. Our results highlight that a reduction in anthropogenic emissions can considerably reduce nucleation events and UFP concentrations in a polluted urban environment.

Artificial Reefs in Motion: Legacy of changes and degradation at the Redbird Reef Site

Science.gov (United States)

Trembanis, A. C.; DuVal, C.; Peter, B.

2016-12-01

Artificial reefs are used for a variety of purposes at sites throughout the U.S. and around the globe, yet little, if any, long-term monitoring has been conducted with the goal of understanding inter-annual changes to the emplaced structures. Throughout the U.S. Mid-Atlantic region, several programs utilized retired subway cars as disposal structures to form artificial reefs. One such site, known as site 11, or "Redbird Reef", is located off the coast of Delaware and was at one time home to 997 former NYC subway cars. Opportunistic sonar surveys at the site have been conducted between 2008 and 2016 providing one of the most extensive and repeated mapping studies for this type of reef. Previous studies conducted by our group at the site have focused on understanding wave orbital ripple dynamics and scour patterns. In this present study, we analyze the changes apparent at the site itself, focused on the storm-response dynamics of the subway cars. Results have shown that Superstorm Sandy in 2012 produced dramatic changes to the reef structures resulting in the total or partial destruction of eight subway cars within a small (.45 x .2km) portion of the reef site. Winter Storm Jonas in 2016 resulted in the destruction of fewer cars, but rotated a previously static 47m long Navy barge nearly 60 degrees. Once destroyed or collapsed by waves the subway cars go from providing positive structural relief and thus beneficial habitat above the surrounding seabed to being reduced to scattered low relief marine debris. A once popular consideration for reef material, the event and inter-annual decay of subway cars as observed at the Redbird reef provides both a stark indication of the power of storm dynamics on the inner-shelf and a cautionary tale with regards to the selection of seabed reef material.

Ice nucleation efficiency of clay minerals in the immersion mode

Directory of Open Access Journals (Sweden)

V. Pinti

2012-07-01

Full Text Available Emulsion and bulk freezing experiments were performed to investigate immersion ice nucleation on clay minerals in pure water, using various kaolinites, montmorillonites, illites as well as natural dust from the Hoggar Mountains in the Saharan region. Differential scanning calorimeter measurements were performed on three different kaolinites (KGa-1b, KGa-2 and K-SA, two illites (Illite NX and Illite SE and four natural and acid-treated montmorillonites (SWy-2, STx-1b, KSF and K-10. The emulsion experiments provide information on the average freezing behaviour characterized by the average nucleation sites. These experiments revealed one to sometimes two distinct heterogeneous freezing peaks, which suggest the presence of a low number of qualitatively distinct average nucleation site classes. We refer to the peak at the lowest temperature as "standard peak" and to the one occurring in only some clay mineral types at higher temperatures as "special peak". Conversely, freezing in bulk samples is not initiated by the average nucleation sites, but by a very low number of "best sites". The kaolinites and montmorillonites showed quite narrow standard peaks with onset temperatures 238 K<T_on^std<242 K and best sites with averaged median freezing temperature T_med^best=257 K, but only some featuring a special peak (i.e. KSF, K-10, K-SA and SWy-2 with freezing onsets in the range 240–248 K. The illites showed broad standard peaks with freezing onsets at 244 K T_on^std<246 K and best sites with averaged median freezing temperature T_med^best=262 K. The large difference between freezing temperatures of standard and best sites shows that characterizing ice nucleation efficiencies of dust particles on the basis of freezing onset temperatures from bulk experiments, as has been done in some atmospheric studies, is not appropriate. Our investigations

Biomimetic conformation-specific assembly of proteins at artificial binding sites nano-patterned on silicon

Science.gov (United States)

de la Rica, Roberto; Matsui, Hiroshi

2009-01-01

Biomolecules such as enzymes and antibodies possess binding sites where the molecular architecture and the physicochemical properties are optimum for their interaction with a particular target, in some cases even differentiating between stereoisomers. Here, we mimic this exquisite specificity via the creation of a suitable chemical environment by fabricating artificial binding sites for the protein calmodulin (CaM). By downscaling well-known surface chemical modification methodologies to the nanometer scale via silicon nanopatterning, the Ca2+-CaM conformer was found to selectively bind the biomimetic binding sites. The methodology could be adapted to mimic other protein-receptor interactions for sensing and catalysis. PMID:19757782

The acceleration of solid particles subjected to cavitation nucleation

DEFF Research Database (Denmark)

Borkent, B.M.; Arora, M.; Ohl, C.-D.

2008-01-01

The cavity -particle dynamics at cavitation inception on the surface of spherical particles suspended in water and exposed to a strong tensile stress wave is experimentally studied with high-speed photography. Particles, which serve as nucleation sites for cavitation bubbles, are set into a fast...

Superheating in nucleate boiling calculated by the heterogeneous nucleation theory

International Nuclear Information System (INIS)

Gerum, E.; Straub, J.; Grigull, U.

1979-01-01

With the heterogeneous nucleation theory the superheating of the liquid boundary layer in nucleate boiling is described not only for the onset of nuclear boiling but also for the boiling crisis. The rate of superheat depends on the thermodynamic stability of the metastable liquid, which is influenced by the statistical fluctuations in the liquid and the nucleation at the solid surface. Because of the fact that the cavities acting as nuclei are too small for microscopic observation, the size and distribution function of the nuclei on the surface necessary for the determination of the probability of bubble formation cannot be detected by measuring techniques. The work of bubble formation reduced by the nuclei can be represented by a simple empirical function whose coefficients are determined from boiling experiments. Using this the heterogeneous nucleation theory describes the superheating of the liquid. Several fluids including refrigerants, liquid gases, organic liquids and water were used to check the theory. (author)

Nucleation in ZBLAN glasses

NARCIS (Netherlands)

de Leede, G.L.A.; Waal, de H.

1989-01-01

Nucleation rates were detd. in a ZrF4-BaF2-NaF-LaF3-AlF3 glass (ZBLAN) using an optical method. The results were compared with a similar glass having a slightly different compn. The difference in the nucleation rate is explained by classical nucleation theory using calcd. free-energy differences

Nucleation phenomena at Suzuki phases

International Nuclear Information System (INIS)

Acosta-Najarro, D.; Jose Y, M.

1982-01-01

Crystal of NaCl doped with Mn present regions with an increase in nucleation densities when observed by surface gold decoration; this increase is related to the nucleation of the Suzuki phases which are induced by cooling of the crystal matrix. Calculations based on atomistic nucleation theory are developed to explain the increased nucleation density. Experiments were made to compare with the theoretical results. In particular the density of nuclei was measured as a function of the rate or arrival of atoms to the surface. Therefore, the changes in the nucleation densities are explained in terms of change in migration energies between the Suzuki phase and the NaCl matrix excluding the possibility of nucleation induced by point defects. (author)

Efflorescence of ammonium sulfate and coated ammonium sulfate particles: evidence for surface nucleation.

Science.gov (United States)

Ciobanu, V Gabriela; Marcolli, Claudia; Krieger, Ulrich K; Zuend, Andreas; Peter, Thomas

2010-09-09

Using optical microscopy, we investigated the efflorescence of ammonium sulfate (AS) in aqueous AS and in aqueous 1:1 and 8:1 (by dry weight) poly(ethylene glycol)-400 (PEG-400)/AS particles deposited on a hydrophobically coated slide. Aqueous PEG-400/AS particles exposed to decreasing relative humidity (RH) exhibit a liquid-liquid phase separation below approximately 90% RH with the PEG-400-rich phase surrounding the aqueous AS inner phase. Pure aqueous AS particles effloresced in the RH range from 36.3% to 43.7%, in agreement with literature data (31-48% RH). In contrast, aqueous 1:1 (by dry weight) PEG-400/AS particles with diameters of the AS phase from 7.2 to 19.2 mum effloresced between 26.8% and 33.9% RH and aqueous 8:1 (by dry weight) PEG-400/AS particles with diameters of the AS phase from 1.8 to 7.3 mum between 24.3% and 29.3% RH. Such low efflorescence relative humidity (ERH) values have never been reached before for AS particles of this size range. We show that these unprecedented low ERHs of AS in PEG-400/AS particles could not possibly be explained by the presence of low amounts of PEG-400 in the aqueous AS phase, by a potential inhibition of water evaporation via anomalously slow diffusion through the PEG coating, or by different time scales between various experimental techniques. High-speed photography of the efflorescence process allowed the development of the AS crystallization fronts within the particles to be monitored with millisecond time resolution. The nucleation sites were inferred from the initial crystal growth sites. Analysis of the probability distribution of initial sites of 31 and 19 efflorescence events for pure AS and 1:1 (by dry weight) PEG-400/AS particles, respectively, showed that the particle volume can be excluded as the preferred nucleation site in the case of pure AS particles. For aqueous 1:1 (by dry weight) PEG-400/AS particles preferential AS nucleation in the PEG phase and at the PEG/AS/substrate contact line can be

Protein crystal nucleation in pores.

Science.gov (United States)

Nanev, Christo N; Saridakis, Emmanuel; Chayen, Naomi E

2017-01-16

The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials.

Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

Science.gov (United States)

Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

2011-03-01

Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

Particle formation and growth at five rural and urban sites

Science.gov (United States)

Jeong, C.-H.; Evans, G. J.; McGuire, M. L.; Chang, R. Y.-W.; Abbatt, J. P. D.; Zeromskiene, K.; Mozurkewich, M.; Li, S.-M.; Leaitch, W. R.

2010-08-01

Ultrafine particle (UFP) number and size distributions were simultaneously measured at five urban and rural sites during the summer of 2007 in Ontario, Canada as part of the Border Air Quality and Meteorology Study (BAQS-Met 2007). Particle formation and growth events at these five sites were classified based on their strength and persistence as well as the variation in geometric mean diameter. Regional nucleation and growth events and local short-lived strong nucleation events were frequently observed at the near-border rural sites, upwind of industrial sources. Surprisingly, the particle number concentrations at one of these sites were higher than the concentrations at a downtown site in a major city, despite its high traffic density. Regional nucleation and growth events were favored during intense solar irradiance and in less polluted cooler drier air. The most distinctive regional particle nucleation and growth event during the campaign was observed simultaneously at all five sites, which were up to 350 km apart. Although the ultrafine particle concentrations and size distributions generally were spatially heterogeneous across the region, a more uniform spatial distribution of UFP across the five areas was observed during this regional nucleation event. Thus, nucleation events can cover large regions, contributing to the burden of UFP in cities and potentially to the associated health impacts on urban populations. Local short-lived nucleation events at the three near-border sites during this summer three-week campaign were associated with high SO2, which likely originated from US and Canadian industrial sources. Hence, particle formation in southwestern Ontario appears to often be related to anthropogenic gaseous emissions but biogenic emissions at times also contribute. Longer-term studies are needed to help resolve the relative contributions of anthropogenic and biogenic emissions to nucleation and growth in this region.

Principles of nucleation theory

International Nuclear Information System (INIS)

Clement, C.F.; Wood, M.H.

1980-01-01

The nucleation of small stable species is described in the problem of void growth by discrete rate equations. When gas is being produced the problem reduces to one of calculating the incubation dose for the gas bubble to void transition. A general expression for the steady state nucleation rate is derived for the case when voids are formed by vacancy fluctuations which enable an effective nucleation barrier to be crossed. (author)

Mechanism of the nanoscale localization of Ge quantum dot nucleation on focused ion beam templated Si(001) surfaces

International Nuclear Information System (INIS)

Portavoce, A; Kammler, M; Hull, R; Reuter, M C; Ross, F M

2006-01-01

We investigate the fundamental mechanism by which self-assembled Ge islands can be nucleated at specific sites on Si(001) using ultra-low-dose focused ion beam (FIB) pre-patterning. Island nucleation is controlled by a nanotopography that forms after the implantation of Ga ions during subsequent thermal annealing of the substrate. This nanotopography evolves during the annealing stage, changing from a nanoscale annular depression associated with each focused ion beam spot to a nanoscale pit, and eventually disappearing (planarizing). The correspondence of Ge quantum dot nucleation sites to the focused ion beam features requires a growth surface upon which the nanotopography is preserved. A further key observation is that the Ge wetting layer thickness is reduced in patterned regions, allowing the formation of islands on the templated regions without nucleation elsewhere. These results provide routes to the greatly enhanced design and control of quantum dot distributions and dimensions

Climate Impacts of Ice Nucleation

Science.gov (United States)

Gettelman, Andrew; Liu, Xiaohong; Barahona, Donifan; Lohmann, Ulrike; Chen, Celia

2012-01-01

Several different ice nucleation parameterizations in two different General Circulation Models (GCMs) are used to understand the effects of ice nucleation on the mean climate state, and the Aerosol Indirect Effects (AIE) of cirrus clouds on climate. Simulations have a range of ice microphysical states that are consistent with the spread of observations, but many simulations have higher present-day ice crystal number concentrations than in-situ observations. These different states result from different parameterizations of ice cloud nucleation processes, and feature different balances of homogeneous and heterogeneous nucleation. Black carbon aerosols have a small (0.06 Wm(exp-2) and not statistically significant AIE when included as ice nuclei, for nucleation efficiencies within the range of laboratory measurements. Indirect effects of anthropogenic aerosols on cirrus clouds occur as a consequence of increasing anthropogenic sulfur emissions with different mechanisms important in different models. In one model this is due to increases in homogeneous nucleation fraction, and in the other due to increases in heterogeneous nucleation with coated dust. The magnitude of the effect is the same however. The resulting ice AIE does not seem strongly dependent on the balance between homogeneous and heterogeneous ice nucleation. Regional effects can reach several Wm2. Indirect effects are slightly larger for those states with less homogeneous nucleation and lower ice number concentration in the base state. The total ice AIE is estimated at 0.27 +/- 0.10 Wm(exp-2) (1 sigma uncertainty). This represents a 20% offset of the simulated total shortwave AIE for ice and liquid clouds of 1.6 Wm(sup-2).

Identification of phosphorylation sites in protein kinase A substrates using artificial neural networks and mass spectrometry

DEFF Research Database (Denmark)

Hjerrild, M.; Stensballe, A.; Rasmussen, T.E.

2004-01-01

Protein phosphorylation plays a key role in cell regulation and identification of phosphorylation sites is important for understanding their functional significance. Here, we present an artificial neural network algorithm: NetPhosK (http://www.cbs.dtu.dk/services/NetPhosK/) that predicts protein...

Identification of phosphorylation sites in protein kinase A substrates using artificial neural networks and mass spectrometry

DEFF Research Database (Denmark)

Hjerrild, Majbrit; Stensballe, Allan; Rasmussen, Thomas E

2011-01-01

Protein phosphorylation plays a key role in cell regulation and identification of phosphorylation sites is important for understanding their functional significance. Here, we present an artificial neural network algorithm: NetPhosK (http://www.cbs.dtu.dk/services/NetPhosK/) that predicts protein...

New trends in the nucleation research

Science.gov (United States)

Anisimov, M. P.; Hopke, P. K.

2017-09-01

During the last half of century the most of efforts have been directed towards small molecule system modeling using intermolecular potentials. Summarizing the nucleation theory, it can be concluded that the nowadays theory is far from complete. The vapor-gas nucleation theory can produce values that deviate from the experimental results by several orders of magnitude currently. Experiments on the vapor-gas nucleation rate measurements using different devices show significant inconsistencies in the measured rates as well. Theoretical results generally are quite reasonable for sufficiently low vapor nucleation rates where the capillary approximation is applicable. In the present research the advantages and current problems of the vapor-gas nucleation experiments are discussed briefly and a view of the future studies is presented. Using the brake points of the first derivative for the nucleation rate surface as markers of the critical embryos phase change is fresh idea to show the gas-pressure effect for the nucleating vapor-gas systems. To test the accuracy of experimental techniques, it is important to have a standard system that can be measured over a range of nucleation conditions. Several results illustrate that high-pressure techniques are needed to study multi-channel nucleation. In practical applications, parametric theories can be used for the systems of interest. However, experimental measurements are still the best source of information on nucleation rates. Experiments are labor intensive and costly, and thus, it is useful to extend the value of limited experimental measurements to a broader range of nucleation conditions. Only limited experimental data one needs for use in normalizing the slopes of the linearized nucleation rate surfaces. The nucleation rate surface is described in terms of steady-state nucleation rates. It is supposed that several new measuring systems, such as High Pressure Flow Diffusion Chamber for pressure limit up to 150 bar will be

Ice nucleation triggered by negative pressure.

Science.gov (United States)

Marcolli, Claudia

2017-11-30

Homogeneous ice nucleation needs supercooling of more than 35 K to become effective. When pressure is applied to water, the melting and the freezing points both decrease. Conversely, melting and freezing temperatures increase under negative pressure, i.e. when water is stretched. This study presents an extrapolation of homogeneous ice nucleation temperatures from positive to negative pressures as a basis for further exploration of ice nucleation under negative pressure. It predicts that increasing negative pressure at temperatures below about 262 K eventually results in homogeneous ice nucleation while at warmer temperature homogeneous cavitation, i. e. bubble nucleation, dominates. Negative pressure occurs locally and briefly when water is stretched due to mechanical shock, sonic waves, or fragmentation. The occurrence of such transient negative pressure should suffice to trigger homogeneous ice nucleation at large supercooling in the absence of ice-nucleating surfaces. In addition, negative pressure can act together with ice-inducing surfaces to enhance their intrinsic ice nucleation efficiency. Dynamic ice nucleation can be used to improve properties and uniformity of frozen products by applying ultrasonic fields and might also be relevant for the freezing of large drops in rainclouds.

Ion implantation induced martensite nucleation in SUS301 steel

International Nuclear Information System (INIS)

Kinoshita, Hiroshi; Takahashi, Heishichiro; Gustiono, Dwi; Sakaguchi, Norihito; Shibayama, Tamaki; Watanabe, Seiichi

2007-01-01

Phase transformation behaviors of the austenitic 301 stainless steel was studied under Fe + , Ti + and Ar + ions implantation at room temperature with 100, 200 and 300 keV up to fluence of 1x10 21 ions/m 2 and the microstructures were observed by means of transmission electron microscopy (TEM). The plane and cross-sectional observations of the implanted specimen showed that the induced-phases due to implantation from the γ matrix phase were identified as α' martensite phases with the orientation relationship of (11-bar0) α parallel (111-bar) γ and [111] α parallel [011] γ close to the Kurdjumov-Sachs (K-S). The ion implantation induced phases nucleated near the surface region and the depth position of the nucleation changed depending on the ion accelerating energy and ion species. It was also found that the induced marten sites phases nucleate under the influence of the stress distribution, which is introduced due to the concentration of implanted ions, especially due to the stress gradient caused by the corresponding concentration gradient. (author)

Modelling heterogeneous ice nucleation on mineral dust and soot with parameterizations based on laboratory experiments

Science.gov (United States)

Hoose, C.; Hande, L. B.; Mohler, O.; Niemand, M.; Paukert, M.; Reichardt, I.; Ullrich, R.

2016-12-01

Between 0 and -37°C, ice formation in clouds is triggered by aerosol particles acting as heterogeneous ice nuclei. At lower temperatures, heterogeneous ice nucleation on aerosols can occur at lower supersaturations than homogeneous freezing of solutes. In laboratory experiments, the ability of different aerosol species (e.g. desert dusts, soot, biological particles) has been studied in detail and quantified via various theoretical or empirical parameterization approaches. For experiments in the AIDA cloud chamber, we have quantified the ice nucleation efficiency via a temperature- and supersaturation dependent ice nucleation active site density. Here we present a new empirical parameterization scheme for immersion and deposition ice nucleation on desert dust and soot based on these experimental data. The application of this parameterization to the simulation of cirrus clouds, deep convective clouds and orographic clouds will be shown, including the extension of the scheme to the treatment of freezing of rain drops. The results are compared to other heterogeneous ice nucleation schemes. Furthermore, an aerosol-dependent parameterization of contact ice nucleation is presented.

Nucleation sites of Ge nanoislands grown on pit-patterned Si substrate prepared by electron-beam lithography

Science.gov (United States)

Smagina, Zh. V.; Zinovyev, V. A.; Rudin, S. A.; Novikov, P. L.; Rodyakina, E. E.; Dvurechenskii, A. V.

2018-04-01

Regular pit-patterned Si(001) substrates were prepared by electron-beam lithography followed by plasma chemical etching. The geometry of the pits was controlled by varying the etching conditions and the electron-beam exposure duration. It was shown that the location of three-dimensional (3D) Ge nanoislands subsequently grown on the pit-patterned Si substrates depends on the shape of the pit bottom. In the case of pits having a sharp bottom, 3D Ge islands nucleate inside the pits. For pits with a wide flat bottom, the 3D Ge island nucleation takes place at the pit periphery. This effect is attributed to the strain relaxation depending not only on the initial pit shape, but also on its evolution during the Ge wetting layer deposition. It was shown by Monte Carlo simulations that in the case of a pit with a pointed bottom, the relaxation is most effective inside the pit, while for a pit with a wide bottom, the most relaxed area migrates during Ge deposition from the pit bottom to its edges, where 3D Ge islands nucleate.

Elucidating Key Motifs Required for Arp2/3-Dependent and Independent Actin Nucleation by Las17/WASP

Science.gov (United States)

Urbanek, Agnieszka N.; Smaczynska-de Rooij, Iwona I.

2016-01-01

Actin nucleation is the key rate limiting step in the process of actin polymerization, and tight regulation of this process is critical to ensure actin filaments form only at specific times and at defined regions of the cell. Arp2/3 is a well-characterised protein complex that can promote nucleation of new filaments, though its activity requires additional nucleation promotion factors (NPFs). The best recognized of these factors are the WASP family of proteins that contain binding motifs for both monomeric actin and for Arp2/3. Previously we demonstrated that the yeast WASP homologue, Las17, in addition to activating Arp2/3 can also nucleate actin filaments de novo, independently of Arp2/3. This activity is dependent on its polyproline rich region. Through biochemical and in vivo analysis we have now identified key motifs within the polyproline region that are required for nucleation and elongation of actin filaments, and have addressed the role of the WH2 domain in the context of actin nucleation without Arp2/3. We have also demonstrated that full length Las17 is able to bind liposomes giving rise to the possibility of direct linkage of nascent actin filaments to specific membrane sites to which Las17 has been recruited. Overall, we propose that Las17 functions as the key initiator of de novo actin filament formation at endocytic sites by nucleating, elongating and tethering nascent filaments which then serve as a platform for Arp2/3 recruitment and function. PMID:27637067

A nanoscale temperature-dependent heterogeneous nucleation theory

International Nuclear Information System (INIS)

Cao, Y. Y.; Yang, G. W.

2015-01-01

Classical nucleation theory relies on the hypothetical equilibrium of the whole nucleation system, and neglects the thermal fluctuations of the surface; this is because the high entropic gains of the (thermodynamically extensive) surface would lead to multiple stable states. In fact, at the nanometer scale, the entropic gains of the surface are high enough to destroy the stability of the thermal equilibrium during nucleation, comparing with the whole system. We developed a temperature-dependent nucleation theory to elucidate the heterogeneous nucleation process, by considering the thermal fluctuations based on classical nucleation theory. It was found that the temperature not only affected the phase transformation, but also influenced the surface energy of the nuclei. With changes in the Gibbs free energy barrier, nucleation behaviors, such as the nucleation rate and the critical radius of the nuclei, showed temperature-dependent characteristics that were different from those predicted by classical nucleation theory. The temperature-dependent surface energy density of a nucleus was deduced based on our theoretical model. The agreement between the theoretical and experimental results suggested that the developed nucleation theory has the potential to contribute to the understanding and design of heterogeneous nucleation at the nanoscale

Artificial Cavities and Nest Site Selection by Puerto Rican Parrots: a Multiscale Assessment

Directory of Open Access Journals (Sweden)

Thomas H. White, Jr.

2006-12-01

Full Text Available We examined nest site selection by Puerto Rican Parrots, a secondary cavity nester, at several spatial scales using the nest entrance as the central focal point relative to 20 habitat and spatial variables. The Puerto Rican Parrot is unique in that, since 2001, all known nesting in the wild has occurred in artificial cavities, which also provided us with an opportunity to evaluate nest site selection without confounding effects of the actual nest cavity characteristics. Because of the data limitations imposed by the small population size of this critically endangered endemic species, we employed a distribution-free statistical simulation approach to assess site selection relative to characteristics of used and unused nesting sites. Nest sites selected by Puerto Rican Parrots were characterized by greater horizontal and vertical visibility from the nest entrance, greater density of mature sierra palms, and a more westerly and leeward orientation of nest entrances than unused sites. Our results suggest that nest site selection in this species is an adaptive response to predation pressure, to which the parrots respond by selecting nest sites offering advantages in predator detection and avoidance at all stages of the nesting cycle. We conclude that identifying and replicating the “nest gestalt” of successful nesting sites may facilitate conservation efforts for this and other endangered avian species.

Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations

Science.gov (United States)

Nishiyama, Katsuhiko

2018-05-01

Using artificial intelligence, the binding styles of 167 tetrapeptides were predicted in the active site of papain and cathepsin K. Five tetrapeptides (Asn-Leu-Lys-Trp, Asp-Gln-Trp-Gly, Cys-Gln-Leu-Arg, Gln-Leu-Trp-Thr and Arg-Ser-Glu-Arg) were found to bind sites near the active center of both papain and cathepsin K. These five tetrapeptides have the potential to also bind sites of other cysteine proteases, and structural characteristics of these tetrapeptides should aid the design of a common inhibitor of cysteine proteases. Smart application of artificial intelligence should accelerate data mining of important complex systems.

Role of nucleation in nanodiamond film growth

International Nuclear Information System (INIS)

Lifshitz, Y.; Lee, C.H.; Wu, Y.; Zhang, W.J.; Bello, I.; Lee, S.T.

2006-01-01

Nanodiamond films were deposited using different microwave plasma chemical vapor deposition schemes following several nucleation pretreatment methods. The nucleation efficiency and the films structure were investigated using scanning and transmission electron microscopy and Raman spectroscopy. C 2 dimer growth (CH 4 and H 2 in 90% Ar) cannot nucleate diamond and works only on existing diamond surfaces. The methyl radical process (up to 20% CH 4 in H 2 ) allows some nucleation probability on appropriate substrates. Prolonged bias enhanced nucleation initiates both diamond nucleation and growth. C 2 dimer growth results in pure nanodiamond free of amorphous carbon, while prolonged bias enhanced nucleation forms an amorphous carbon/nanodiamond composite

Crystal Nucleation of Tolbutamide in Solution: Relationship to Solvent, Solute Conformation, and Solution Structure.

Science.gov (United States)

Zeglinski, Jacek; Kuhs, Manuel; Khamar, Dikshitkumar; Hegarty, Avril C; Devi, Renuka K; Rasmuson, Åke C

2018-04-03

The influence of the solvent in nucleation of tolbutamide, a medium-sized, flexible and polymorphic organic molecule, has been explored by measuring nucleation induction times, estimating solvent-solute interaction enthalpies using molecular modelling and calorimetric data, probing interactions and clustering with spectroscopy, and modelling solvent-dependence of molecular conformation in solution. The nucleation driving force required to reach the same induction time is strongly solvent-dependent, increasing in the order: acetonitrilenucleation difficulty is a function of the strength of solvent-solute interaction, with emphasis on the interaction with specific H-bonding polar sites of importance in the crystal structure. A clear exception from this rule is the most difficult nucleation in toluene despite the weakest solvent-solute interactions. However molecular dynamics modelling predicts that tolbutamide assumes an intramolecularly H-bonded conformation in toluene, substantially different from and more stable than the conformation in the crystal structure, and thus presenting an additional barrier to nucleation. This explains why nucleation in toluene is the most difficult and why the relatively higher propensity for aggregation of tolbutamide molecules in toluene solution, as observed with FTIR spectroscopy, does not translate into easier nucleation. Thus, our combined experimental and molecular modelling study suggests that the solvent can influence on the nucleation not only via differences in the desolvation but also through the influence on molecular conformation. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diamond Nucleation Using Polyethene

Science.gov (United States)

Morell, Gerardo (Inventor); Makarov, Vladimir (Inventor); Varshney, Deepak (Inventor); Weiner, Brad (Inventor)

2013-01-01

The invention presents a simple, non-destructive and non-abrasive method of diamond nucleation using polyethene. It particularly describes the nucleation of diamond on an electrically viable substrate surface using polyethene via chemical vapor deposition (CVD) technique in a gaseous environment.

Probabilistic approach to lysozyme crystal nucleation kinetics.

Science.gov (United States)

Dimitrov, Ivaylo L; Hodzhaoglu, Feyzim V; Koleva, Dobryana P

2015-09-01

Nucleation of lysozyme crystals in quiescent solutions at a regime of progressive nucleation is investigated under an optical microscope at conditions of constant supersaturation. A method based on the stochastic nature of crystal nucleation and using discrete time sampling of small solution volumes for the presence or absence of detectable crystals is developed. It allows probabilities for crystal detection to be experimentally estimated. One hundred single samplings were used for each probability determination for 18 time intervals and six lysozyme concentrations. Fitting of a particular probability function to experimentally obtained data made possible the direct evaluation of stationary rates for lysozyme crystal nucleation, the time for growth of supernuclei to a detectable size and probability distribution of nucleation times. Obtained stationary nucleation rates were then used for the calculation of other nucleation parameters, such as the kinetic nucleation factor, nucleus size, work for nucleus formation and effective specific surface energy of the nucleus. The experimental method itself is simple and adaptable and can be used for crystal nucleation studies of arbitrary soluble substances with known solubility at particular solution conditions.

Using rheometry for determining nucleation density in colored system containing a nucleation agent

NARCIS (Netherlands)

Ma, Z.; Steenbakkers, R.J.A.; Giboz, J.; Peters, G.W.M.

2011-01-01

A new suspension-based rheological method was applied to study experimentally the crystallization of a nucleating agent (NA) filled isotactic polypropylene. This method allows for determination of point-nucleation densities where other methods fail. For example, optical microscopy can fail because

Thermodynamic and Dynamic Aspects of Ice Nucleation

Science.gov (United States)

Barahona, Donifan

2018-01-01

It is known that ice nucleating particles (INP) immersed within supercooled droplets promote the formation of ice. Common theoretical models used to represent this process assume that the immersed particle lowers the work of ice nucleation without significantly affecting the dynamics of water in the vicinity of the particle. This is contrary to evidence showing that immersed surfaces significantly affect the viscosity and diffusivity of vicinal water. To study how this may affect ice formation this work introduces a model linking the ice nucleation rate to the modification of the dynamics and thermodynamics of vicinal water by immersed particles. It is shown that INP that significantly reduce the work of ice nucleation also pose strong limitations to the growth of the nascent ice germs. This leads to the onset of a new ice nucleation regime, called spinodal ice nucleation, where the dynamics of ice germ growth instead of the ice germ size determines the nucleation rate. Nucleation in this regime is characterized by an enhanced sensitivity to particle area and cooling rate. Comparison of the predicted ice nucleation rate against experimental measurements for a diverse set of species relevant to cloud formation suggests that spinodal ice nucleation may be common in nature.

Crystal Nucleation Using Surface-Energy-Modified Glass Substrates.

Science.gov (United States)

Nordquist, Kyle A; Schaab, Kevin M; Sha, Jierui; Bond, Andrew H

2017-08-02

Systematic surface energy modifications to glass substrates can induce nucleation and improve crystallization outcomes for small molecule active pharmaceutical ingredients (APIs) and proteins. A comparatively broad probe for function is presented in which various APIs, proteins, organic solvents, aqueous media, surface energy motifs, crystallization methods, form factors, and flat and convex surface energy modifications were examined. Replicate studies ( n ≥ 6) have demonstrated an average reduction in crystallization onset times of 52(4)% (alternatively 52 ± 4%) for acetylsalicylic acid from 91% isopropyl alcohol using two very different techniques: bulk cooling to 0 °C using flat surface energy modifications or microdomain cooling to 4 °C from the interior of a glass capillary having convex surface energy modifications that were immersed in the solution. For thaumatin and bovine pancreatic trypsin, a 32(2)% reduction in crystallization onset times was demonstrated in vapor diffusion experiments ( n ≥ 15). Nucleation site arrays have been engineered onto form factors frequently used in crystallization screening, including microscope slides, vials, and 96- and 384-well high-throughput screening plates. Nucleation using surface energy modifications on the vessels that contain the solutes to be crystallized adds a layer of useful variables to crystallization studies without requiring significant changes to workflows or instrumentation.

Siting of nuclear power plants on artificial islands: the Belgian situation

International Nuclear Information System (INIS)

Gol, J.G.

1976-01-01

The building of nuclear stations on the national territory involves reticences of an ecological nature which have induced technicians to consider other siting facilities. The creation of artificial islands, in particular nuclear stations, is therefore suggested. In the present state of the law of the sea, such construction gives rise to some intricate legal problems and leads to consideration of every notion, from the territorial sea to the exclusive economic zone. Especially regarding Belgium, the problem is to know where the legal competence for these facilities will lie. After analysis, it has been estimated that regional bodies have no specific powers in this regard and that no norm with a restricted territorial scope may be applied. (Auth) [fr

Homogeneous ice nucleation from aqueous inorganic/organic particles representative of biomass burning: water activity, freezing temperatures, nucleation rates.

Science.gov (United States)

Knopf, Daniel A; Rigg, Yannick J

2011-02-10

Homogeneous ice nucleation plays an important role in the formation of cirrus clouds with subsequent effects on the global radiative budget. Here we report on homogeneous ice nucleation temperatures and corresponding nucleation rate coefficients of aqueous droplets serving as surrogates of biomass burning aerosol. Micrometer-sized (NH(4))(2)SO(4)/levoglucosan droplets with mass ratios of 10:1, 1:1, 1:5, and 1:10 and aqueous multicomponent organic droplets with and without (NH(4))(2)SO(4) under typical tropospheric temperatures and relative humidities are investigated experimentally using a droplet conditioning and ice nucleation apparatus coupled to an optical microscope with image analysis. Homogeneous freezing was determined as a function of temperature and water activity, a(w), which was set at droplet preparation conditions. The ice nucleation data indicate that minor addition of (NH(4))(2)SO(4) to the aqueous organic droplets renders the temperature dependency of water activity negligible in contrast to the case of aqueous organic solution droplets. The mean homogeneous ice nucleation rate coefficient derived from 8 different aqueous droplet compositions with average diameters of ∼60 μm for temperatures as low as 195 K and a(w) of 0.82-1 is 2.18 × 10(6) cm(-3) s(-1). The experimentally derived freezing temperatures and homogeneous ice nucleation rate coefficients are in agreement with predictions of the water activity-based homogeneous ice nucleation theory when taking predictive uncertainties into account. However, the presented ice nucleation data indicate that the water activity-based homogeneous ice nucleation theory overpredicts the freezing temperatures by up to 3 K and corresponding ice nucleation rate coefficients by up to ∼2 orders of magnitude. A shift of 0.01 in a(w), which is well within the uncertainty of typical field and laboratory relative humidity measurements, brings experimental and predicted freezing temperatures and homogeneous ice

Nucleation in Polymers and Soft Matter

Science.gov (United States)

Xu, Xiaofei; Ting, Christina L.; Kusaka, Isamu; Wang, Zhen-Gang

2014-04-01

Nucleation is a ubiquitous phenomenon in many physical, chemical, and biological processes. In this review, we describe recent progress on the theoretical study of nucleation in polymeric fluids and soft matter, including binary mixtures (polymer blends, polymers in poor solvents, compressible polymer-small molecule mixtures), block copolymer melts, and lipid membranes. We discuss the methodological development for studying nucleation as well as novel insights and new physics obtained in the study of the nucleation behavior in these systems.

A dynamical theory of nucleation

Science.gov (United States)

Lutsko, James F.

2013-05-01

A dynamical theory of nucleation based on fluctuating hydrodynamics is described. It is developed in detail for the case of diffusion-limited nucleation appropriate to colloids and macro-molecules in solution. By incorporating fluctuations, realistic fluid-transport and realistic free energy models the theory is able to give a unified treatment of both the pre-critical development of fluctuations leading to a critical cluster as well as of post-critical growth. Standard results from classical nucleation theory are shown to follow in the weak noise limit while the generality of the theory allows for many extensions including the description of very high supersaturations (small clusters), multiple order parameters and strong-noise effects to name a few. The theory is applied to homogeneous and heterogeneous nucleation of a model globular protein in a confined volume and it is found that nucleation depends critically on the existence of long-wavelength, small-amplitude density fluctuations.

Computer simulation of chemical nucleation

International Nuclear Information System (INIS)

Turner, J.S.

1979-01-01

The problem of nucleation at chemical instabilities is investigated by means of microscopic computer simulation. The first-order transition of interest involves a new kind of nucleation arising from chemical transformations rather than physical forces. Here it is the chemical state of matter, and not matter itself, which is spatially localized to form the nucleus for transition between different chemical states. First, the concepts of chemical instability, nonequilibrium phase transition, and dissipative structure are reviewed briefly. Then recently developed methods of reactive molecular dynamics are used to study chemical nucleation in a simple model chemical reactions. Finally, the connection of these studies to nucleation and condensation processes involving physical and chemical interactions is explored. (orig.)

A classical view on nonclassical nucleation

NARCIS (Netherlands)

Smeets, P.J.M.; Finney, A.R.; Habraken, W.J.E.M.; Nudelman, F.; Friedrich, H.; Laven, J.; De Yoreo, J.J.; Rodger, P.M.; Sommerdijk, N.A.J.M.

2017-01-01

Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO3) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO3 nucleation is still a

Fidelity of northern pine snakes (Pituophis m. melanoleucus) to natural and artificial hibernation sites in the New Jersey Pine Barrens.

Science.gov (United States)

Zappalorti, Robert T; Burger, Joanna; Burkett, David W; Schneider, David W; McCort, Matthew P; Golden, David M

2014-01-01

Environmental managers require information on whether human-made hibernacula are used by rare snakes before constructing large numbers of them as mitigation measures. Fidelity of northern pine snakes (Pituophis m. melanoleucus) was examined in a 6-year study in the New Jersey Pine Barrens to determine whether they used natural and artificial hibernacula equally. Pine snakes used both artificial (human-made) and natural (snake-adapted) hibernacula. Most natural hibernacula were in abandoned burrows of large mammals. Occupancy rates were similar between natural and artificial hibernacula. Only 6 of 27 radio-tracked snakes did not shift hibernacula between years, whereas 78% shifted sites at least once, and fidelity from one year to the next was 42%. For snakes that switched hibernacula (n = 21), one switched among artificial hibernacula, 14 (65%) switched among natural hibernacula, and 6 (29%) switched from artificial to natural hibernacula. Data indicate that most pine snakes switch among hibernacula, mainly selecting natural hibernacula, suggesting that artificial dens are used, but protecting natural hibernacula should be a higher conservation priority.

Overcoming artificial spatial correlations in simulations of superstructure domain growth with parallel Monte Carlo algorithms

International Nuclear Information System (INIS)

Schleier, W.; Besold, G.; Heinz, K.

1992-01-01

The authors study the applicability of parallelized/vectorized Monte Carlo (MC) algorithms to the simulation of domain growth in two-dimensional lattice gas models undergoing an ordering process after a rapid quench below an order-disorder transition temperature. As examples they consider models with 2 x 1 and c(2 x 2) equilibrium superstructures on the square and rectangular lattices, respectively. They also study the case of phase separation ('1 x 1' islands) on the square lattice. A generalized parallel checkerboard algorithm for Kawasaki dynamics is shown to give rise to artificial spatial correlations in all three models. However, only if superstructure domains evolve do these correlations modify the kinetics by influencing the nucleation process and result in a reduced growth exponent compared to the value from the conventional heat bath algorithm with random single-site updates. In order to overcome these artificial modifications, two MC algorithms with a reduced degree of parallelism ('hybrid' and 'mask' algorithms, respectively) are presented and applied. As the results indicate, these algorithms are suitable for the simulation of superstructure domain growth on parallel/vector computers. 60 refs., 10 figs., 1 tab

Understanding Cirrus Ice Crystal Number Variability for Different Heterogeneous Ice Nucleation Spectra

Science.gov (United States)

Sullivan, Sylvia C.; Betancourt, Ricardo Morales; Barahona, Donifan; Nenes, Athanasios

2016-01-01

Along with minimizing parameter uncertainty, understanding the cause of temporal and spatial variability of the nucleated ice crystal number, Ni, is key to improving the representation of cirrus clouds in climate models. To this end, sensitivities of Ni to input variables like aerosol number and diameter provide valuable information about nucleation regime and efficiency for a given model formulation. Here we use the adjoint model of the adjoint of a cirrus formation parameterization (Barahona and Nenes, 2009b) to understand Ni variability for various ice-nucleating particle (INP) spectra. Inputs are generated with the Community Atmosphere Model version 5, and simulations are done with a theoretically derived spectrum, an empirical lab-based spectrum and two field-based empirical spectra that differ in the nucleation threshold for black carbon particles and in the active site density for dust. The magnitude and sign of Ni sensitivity to insoluble aerosol number can be directly linked to nucleation regime and efficiency of various INP. The lab-based spectrum calculates much higher INP efficiencies than field-based ones, which reveals a disparity in aerosol surface properties. Ni sensitivity to temperature tends to be low, due to the compensating effects of temperature on INP spectrum parameters; this low temperature sensitivity regime has been experimentally reported before but never deconstructed as done here.

Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways.

Science.gov (United States)

Lifanov, Yuri; Vorselaars, Bart; Quigley, David

2016-12-07

We study a three-species analogue of the Potts lattice gas model of nucleation from solution in a regime where partially disordered solute is a viable thermodynamic phase. Using a multicanonical sampling protocol, we compute phase diagrams for the system, from which we determine a parameter regime where the partially disordered phase is metastable almost everywhere in the temperature-fugacity plane. The resulting model shows non-trivial nucleation and growth behaviour, which we examine via multidimensional free energy calculations. We consider the applicability of the model in capturing the multi-stage nucleation mechanisms of polymorphic biominerals (e.g., CaCO 3 ). We then quantitatively explore the kinetics of nucleation in our model using the increasingly popular "seeding" method. We compare the resulting free energy barrier heights to those obtained via explicit free energy calculations over a wide range of temperatures and fugacities, carefully considering the propagation of statistical error. We find that the ability of the "seeding" method to reproduce accurate free energy barriers is dependent on the degree of supersaturation, and severely limited by the use of a nucleation driving force Δμ computed for bulk phases. We discuss possible reasons for this in terms of underlying kinetic assumptions, and those of classical nucleation theory.

Chemically assisted crack nucleation in zircaloy

International Nuclear Information System (INIS)

Williford, R.E.

1985-01-01

Stress corrosion cracking models (proposed to explain fuel rod failures) generally address crack propagation and cladding rupture, but frequently neglect the necessary nucleation stage for microcracks small enough to violate fracture mechanics continuum requirements. Intergranular microcrack nucleation was modeled with diffusion-controlled grain-boundary cavitation concepts, including the effects of metal embrittlement by iodine species. Computed microcrack nucleation times and strains agree with experimental observation, but the predicted grain-boundary cavities are so small that detection may be difficult. Without a protective oxide film intergranular microcracks can nucleate within 30 s at even low stresses when the embrittler concentration exceeds a threshold value. Indications were found that intergranular microcrack nucleation may be caused by combined corrosive and embrittlement phenomena. (orig.)

A classical density functional investigation of nucleation

International Nuclear Information System (INIS)

Ghosh, Satinath; Ghosh, Swapan K.

2009-01-01

Study of nucleation and growth phenomena in condensation is of prime importance in various applications such as crystal growth, nanoparticle synthesis, pattern formation etc. The knowledge of nucleation barrier in condensation is necessary to control the nucleation kinetics, size of the nanoparticles etc. Classical nucleation theory (CNT) assumes the density of the drop as bulk density irrespective of the size of the drop and overestimates the nucleation barrier. Here we are interested in solving the problem analytically using density functional theory (DFT) with square gradient approximation along the lines of Cahn and Hilliard. Nucleation barrier and density profile obtained in this work are consistent with other works based on nonclassical theory. (author)

Freezing nucleation apparatus puts new slant on study of biological ice nucleators in precipitation

Science.gov (United States)

Stopelli, E.; Conen, F.; Zimmermann, L.; Alewell, C.; Morris, C. E.

2014-01-01

For decades, drop-freezing instruments have contributed to a better understanding of biological ice nucleation and its likely implications for cloud and precipitation development. Yet, current instruments have limitations. Drops analysed on a cold stage are subject to evaporation and potential contamination. The use of closed tubes provides a partial solution to these problems, but freezing events are still difficult to be clearly detected. Here, we present a new apparatus where freezing in closed tubes is detected automatically by a change in light transmission upon ice development, caused by the formation of air bubbles and crystal facets that scatter light. Risks of contamination and introduction of biases linked to detecting the freezing temperature of a sample are then minimized. To illustrate the performance of the new apparatus we show initial results of two assays with snow samples. In one, we repeatedly analysed the sample (208 tubes) over the course of a month with storage at +4 °C, during which evidence for biological ice nucleation activity emerged through an increase in the number of ice nucleators active around -4 °C. In the second assay, we indicate the possibility of increasingly isolating a single ice nucleator from a precipitation sample, potentially determining the nature of a particle responsible for a nucleation activity measured directly in the sample. These two seminal approaches highlight the relevance of this handy apparatus for providing new points of view in biological ice nucleation research.

Nucleation of voids - the impurity effect

International Nuclear Information System (INIS)

Chen, I-W; Taiwo, A.

1984-01-01

Nucleation of voids under irradiation in multicomponent alloys remains an unsolved theoretical problem. Of particular interest are the effects of nonequilibrium solute segregation phenomena on the critical nucleus and the nucleation rate. The resolution of the multicomponent nucleation in a dissipative system also has broader implication to the field of irreversible thermodynamics. The present paper describes a recent study of solute segregation effects in void nucleation. We begin with a thermodynamic model for a nonequilibrium void with interfacial segregation. The thermodynamic model is coupled with kinetic considerations of solute/solvent diffusion under a bias, which is itself related to segregation by the coating effect, to assess the stability of void embryos. To determine nucleation rate, we develop a novel technique by extending the most probable path method in statistical mechanics for nonequilibrium steady state to simulate large fluctuation with nonlinear dissipation. The path of nucleation is determined by solving an analogous problem on particle trajectory in classical dynamics. The results of both the stability analysis and the fluctuation analysis establish the paramount significance of the impurity effect via the mechanism of nonequilibrium segregation. We conclude that over-segregation is probably the most general cause for the apparently low nucleation barriers that are responsible for nearly ubiquitous occurrence of void swelling in common metals

A long-term evaluation of applied nucleation as a strategy to facilitate forest restoration.

Science.gov (United States)

Corbin, Jeffrey D; Robinson, George R; Hafkemeyer, Lauren M; Handel, Steven N

2016-01-01

Applied nucleation is a restoration technique that seeks to facilitate woody-plant establishment by attracting birds or other animals that may introduce seeds of dispersal-limited species. In 1991, an experimental test of applied nucleation was initiated in an abandoned landfill in New Jersey, USA. Trees and shrubs were planted into 16 10 x 10 m plots, covering < 3% of the 6-ha site. In 2010-2011, we sampled the plant community to test the impact of the treatments on forest cover and plant biodiversity. Site-wide forest cover increased substantially in the 19 years since planting from none to 59%. The original planted plots had significantly higher stem density, particularly of bird-dispersed species, than unplanted areas. Species composition outside the planted plots was dominated by the wind-dispersed Fraxinus americana and several small-seeded bird-dispersed species, but there were few species indicative of later successional stages. The expected model of successional development via the nucleation model that rates of colonization would be highest near plantings and that forest cover would spread outward from established clusters was not supported after this time span. Given the site's isolation from potential sources of woody propagules, the experimental treatments may not have been enough to overcome many species' dispersal limitation. Regardless of the mechanism, however, the treatments transformed the once essentially treeless site into a densely wooded habitat, and did so at a rate faster than other descriptions of reforestation following disturbances or land-use changes in the region. Despite the relatively low species richness of the community, this experiment demonstrated that reforestation of even severely degraded habitat can be achieved with minimal management after site preparation and cluster plantings.

Heterogeneous Nucleation and Growth of Nanoparticles at Environmental Interfaces.

Science.gov (United States)

Jun, Young-Shin; Kim, Doyoon; Neil, Chelsea W

2016-09-20

Mineral nucleation is a phase transformation of aqueous components to solids with an accompanying creation of new surfaces. In this evolutional, yet elusive, process, nuclei often form at environmental interfaces, which provide remarkably reactive sites for heterogeneous nucleation and growth. Naturally occurring nucleation processes significantly contribute to the biogeochemical cycles of important components in the Earth's crust, such as iron and manganese oxide minerals and calcium carbonate. However, in recent decades, these cycles have been significantly altered by anthropogenic activities, which affect the aqueous chemistry and equilibrium of both surface and subsurface systems. These alterations can trigger the dissolution of existing minerals and formation of new nanoparticles (i.e., nucleation and growth) and consequently change the porosity and permeability of geomedia in subsurface environments. Newly formed nanoparticles can also actively interact with components in natural and engineered aquatic systems, including those posing a significant hazard such as arsenic. These interactions can bilaterally influence the fate and transport of both newly formed nanoparticles and aqueous components. Due to their importance in natural and engineered processes, heterogeneous nucleation at environmental interfaces has started to receive more attention. However, a lack of time-resolved in situ analyses makes the evaluation of heterogeneous nucleation challenging because the physicochemical properties of both the nuclei and surfaces significantly and dynamically change with time and aqueous chemistry. This Account reviews our in situ kinetic studies of the heterogeneous nucleation and growth behaviors of iron(III) (hydr)oxide, calcium carbonate, and manganese (hydr)oxide minerals in aqueous systems. In particular, we utilized simultaneous small-angle and grazing incidence small-angle X-ray scattering (SAXS/GISAXS) to investigate in situ and in real-time the effects of

Earthquake nucleation in weak subducted carbonates

Science.gov (United States)

Kurzawski, Robert M.; Stipp, Michael; Niemeijer, André R.; Spiers, Christopher J.; Behrmann, Jan H.

2016-09-01

Ocean-floor carbonate- and clay-rich sediments form major inputs to subduction zones, especially at low-latitude convergent plate margins. Therefore, knowledge of their frictional behaviour is fundamental for understanding plate-boundary earthquakes. Here we report results of mechanical tests performed on simulated fault gouges prepared from ocean-floor carbonates and clays, cored during IODP drilling offshore Costa Rica. Clay-rich gouges show internal friction coefficients (that is, the slope of linearized shear stress versus normal stress data) of μint = 0.44 - 0.56, irrespective of temperature and pore-fluid pressure (Pf). By contrast, μint for the carbonate gouge strongly depends on temperature and pore-fluid pressure, with μint decreasing dramatically from 0.84 at room temperature and Pf = 20 MPa to 0.27 at T = 140 °C and Pf = 120 MPa. This effect provides a fundamental mechanism of shear localization and earthquake generation in subduction zones, and makes carbonates likely nucleation sites for plate-boundary earthquakes. Our results imply that rupture nucleation is prompted by a combination of temperature-controlled frictional instability and temperature- and pore-pressure-dependent weakening of calcareous fault gouges.

Interface tracking computations of bubble dynamics in nucleate flow boiling

International Nuclear Information System (INIS)

Giustini, G.

2015-01-01

The boiling process is of utter importance for the design and operation of water-cooled nuclear reactors. Despite continuous effort over the past decades, a fully mechanistic model of boiling in the presence of a solid surface has not yet been achieved. Uncertainties exist at fundamental level, since the microscopic phenomena governing nucleate boiling are still not understood, and as regards 'component scale' modelling, which relies heavily on empirical representations of wall boiling. Accurate models of these phenomena at sub-milli-metric scale are capable of elucidating the various processes and to produce quantitative data needed for up-scaling. Within this context, Direct Numerical Simulation (DNS) represents a powerful tool for CFD analysis of boiling flows. In this contribution, DNS coupled with an Interface Tracking method (Y. Sato, B. Niceno, Journal of Computational Physics, Volume 249, 15 September 2013, Pages 127-161) are used to analyse the hydrodynamics and heat transfer associated with heat diffusion controlled bubble growth at a solid substrate during nucleate flow boiling. The growth of successive bubbles from a single nucleation site is simulated with a computational model that includes heat conduction in the solid substrate and evaporation from the liquid film (micro-layer) present beneath the bubble. Bubble evolution is investigated and the additional (with respect to single phase convection) heat transfer mechanisms due to the ebullition cycle are quantified. The simulations show that latent heat exchange due to evaporation in the micro-layer and sensible heat exchange during the waiting time after bubble departure are the main heat transfer mechanisms. It is found that the presence of an imposed flow normal to the bubble rising path determines a complex velocity and temperature distribution near the nucleation site. This conditions can result in bubble sliding, and influence bubble shape, departure diameter and departure frequency

Dimers in nucleating vapors

Science.gov (United States)

Lushnikov, A. A.; Kulmala, M.

1998-09-01

The dimer stage of nucleation may affect considerably the rate of the nucleation process at high supersaturation of the nucleating vapor. Assuming that the dimer formation limits the nucleation rate, the kinetics of the particle formation-growth process is studied starting with the definition of dimers as bound states of two associating molecules. The partition function of dimer states is calculated by summing the Boltzmann factor over all classical bound states, and the equilibrium population of dimers is found for two types of intermolecular forces: the Lennard-Jones (LJ) and rectangular well+hard core (RW) potentials. The principle of detailed balance is used for calculating the evaporation rate of dimers. The kinetics of the particle formation-growth process is then investigated under the assumption that the trimers are stable with respect to evaporation and that the condensation rate is a power function of the particle mass. If the power exponent λ=n/(n+1) (n is a non-negative integer), the kinetics of the process is described by a finite set of moments of particle mass distribution. When the characteristic time of the particle formation by nucleation is much shorter than that of the condensational growth, n+2 universal functions of a nondimensional time define the kinetic process. These functions are calculated for λ=2/3 (gas-to-particle conversion in the free molecular regime) and λ=1/2 (formation of islands on surfaces).

Heterogeneous nucleation of calcium oxalate on native oxide surfaces

International Nuclear Information System (INIS)

Song, L.; Pattillo, M.J.; Graff, G.L.; Campbell, A.A.; Bunker, B.C.

1994-04-01

The aqueous deposition of calcium oxalate onto colloidal oxides has been studied as a model system for understanding heterogeneous nucleation processes of importance in biomimetic synthesis of ceramic thin films. Calcium oxalate nucleation has been monitored by measuring induction times for nucleation using Constant Composition techniques and by measuring nucleation densities on extended oxide surfaces using an atomic force microscope. Results show that the dependence of calcium oxalate nucleation on solution supersaturation fits the functional form predicted by classical nucleation theories. Anionic surfaces appear to promote nucleation better than cationic surfaces, lowering the effective energy barrier to heterogeneous nucleation

Nucleation behavior of glutathione polymorphs in water

International Nuclear Information System (INIS)

Chen, Zhi; Dang, Leping; Li, Shuai; Wei, Hongyuan

2013-01-01

Nucleation behavior of glutathione (GSH) polymorphs in water was investigated by experimental method combined with classical nucleation theory. The solubility of α and β forms GSH in water at different temperatures, and the nucleation induction period at various supersaturations and temperatures were determined experimentally. The results show that, in a certain range of supersaturation, the nucleation of β form predominates at relatively higher temperature, while α form will be obtained at lower temperature. The nucleation kinetics parameters of α and β form were then calculated. To understand the crucial role of temperature on crystal forms, “hypothetic” nucleation parameters of β form at 283.15 K were deduced based on extrapolation method. The results show that the interfacial tension, critical free energy, critical nucleus radius and nucleus number of α form are smaller than that of β form in the same condition at 283.15 K, which implies that α form nucleates easier than β form at low temperature. This work may be useful for the control and optimization of GSH crystallization process in industry

Nucleation in an ultra low ionization environment

DEFF Research Database (Denmark)

Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean

Atmospheric ions can enhance the nucleation of aerosols, as has been established by experiments, observation, and theory. In the clean marine atmosphere ionization is mainly caused by cosmic rays which in turn are controlled by the activity of the Sun, thus providing a potential link between solar...... activity and climate. In order to understand the effect ions may have on the production of cloud condensation nuclei the overall contribution of ion induced nucleation to the global production of secondary aerosols must be determined. One issue with determining this contribution is that several mechanisms...... for nucleation exist and it can be difficult to determine the relative importance of the various mechanisms in a given nucleation event when both ion induced and electrically neutral nucleation mechanisms are at work at the same time. We have carried out nucleation experiments in the Boulby Underground...

Characteristics of Methane Hydrate Formation in Artificial and Natural Media

OpenAIRE

Peng Zhang; Qingbai Wu; Yuzhong Yang

2013-01-01

The formation of methane hydrate in two significantly different media was investigated, using silica gel as an artificial medium and loess as a natural medium. The methane hydrate formation was observed through the depletion of water in the matrix, measured via the matrix potential and the relationship between the matrix potential and the water content was determined using established equations. The velocity of methane hydrate nucleation slowed over the course of the reaction, as it relied on...

Management decision of optimal recharge water in groundwater artificial recharge conditions- A case study in an artificial recharge test site

Science.gov (United States)

He, H. Y.; Shi, X. F.; Zhu, W.; Wang, C. Q.; Ma, H. W.; Zhang, W. J.

2017-11-01

The city conducted groundwater artificial recharge test which was taken a typical site as an example, and the purpose is to prevent and control land subsidence, increase the amount of groundwater resources. To protect groundwater environmental quality and safety, the city chose tap water as recharge water, however, the high cost makes it not conducive to the optimal allocation of water resources and not suitable to popularize widely. To solve this, the city selects two major surface water of River A and B as the proposed recharge water, to explore its feasibility. According to a comprehensive analysis of the cost of recharge, the distance of the water transport, the quality of recharge water and others. Entropy weight Fuzzy Comprehensive Evaluation Method is used to prefer tap water and water of River A and B. Evaluation results show that water of River B is the optimal recharge water, if used; recharge cost will be from 0.4724/m3 to 0.3696/m3. Using Entropy weight Fuzzy Comprehensive Evaluation Method to confirm water of River B as optimal water is scientific and reasonable. The optimal water management decisions can provide technical support for the city to carry out overall groundwater artificial recharge engineering in deep aquifer.

The Ice Nucleation Activity of Surface Modified Soot

Science.gov (United States)

Häusler, Thomas; Witek, Lorenz; Felgitsch, Laura; Hitzenberger, Regina; Grothe, Hinrich

2017-04-01

The ice nucleation efficiency of many important atmospheric particles remains poorly understood. Since soot is ubiquitous in the Earth's troposphere, they might have the potential to significantly impact the Earth's climate (Finlayson-Pitts and Pitts, 2000; Seinfeld and Pandis, 1998). Here we present the ice nucleation activity (INA) in immersion freezing mode of different types of soot. Therefor a CAST (combustion aerosol standard) generator was used to produce different kinds of soot samples. The CAST generator combusts a propane-air-mixture and deposits thereby produced soot on a polyvinyl fluoride filter. By varying the propane to air ratio, the amount of organic portion of the soot can be varied from black carbon (BC) with no organic content to brown carbon (BrC) with high organic content. To investigate the impact of functional sites of ice nuclei (IN), the soot samples were exposed to NO2 gas for a certain amount of time (30 to 360 minutes) to chemically modify the surface. Immersion freezing experiments were carried out in a unique reaction gadget. In this device a water-in-oil suspension (with the soot suspended in the aqueous phase) was cooled till the freezing point and was observed through a microscope (Pummer et al., 2012; Zolles et al., 2015) It was found that neither modified nor unmodified BC shows INA. On the contrary, unmodified BrC shows an INA at -32˚ C, which can be increased up to -20˚ C. The INA of BrC depends on the duration of NO2- exposure. To clarify the characteristics of the surface modifications, surface sensitive analysis like infrared spectroscopy and X-ray photoelectron spectroscopy were carried out. Finlayson-Pitts, B. J. and Pitts, J. N. J.: Chemistry of the Upper and Lower Atmosphere, Elsevier, New York, 2000. Pummer, B. G., Bauer, H., Bernardi, J., Bleicher, S., and Grothe, H.: Suspendable macromolecules are responsible for ice nucleation activity of birch and conifer pollen, Atmos Chem Phys, 12, 2541-2550, 2012. Seinfeld, J

Theory and Simulation of Nucleation

NARCIS (Netherlands)

Kuipers, J.|info:eu-repo/dai/nl/304832049

2009-01-01

Nucleation is the process where a stable nucleus spontaneously emerges in a metastable environment. Examples of nucleation abound, for instance the formation of droplets in undercooled gasses and of crystals in undercooled liquids. The process is thermally activated and is key to understanding

Nonclassical nucleation pathways in protein crystallization.

Science.gov (United States)

Zhang, Fajun

2017-11-08

Classical nucleation theory (CNT), which was established about 90 years ago, has been very successful in many research fields, and continues to be the most commonly used theory in describing the nucleation process. For a fluid-to-solid phase transition, CNT states that the solute molecules in a supersaturated solution reversibly form small clusters. Once the cluster size reaches a critical value, it becomes thermodynamically stable and favored for further growth. One of the most important assumptions of CNT is that the nucleation process is described by one reaction coordinate and all order parameters proceed simultaneously. Recent studies in experiments, computer simulations and theory have revealed nonclassical features in the early stage of nucleation. In particular, the decoupling of order parameters involved during a fluid-to-solid transition leads to the so-called two-step nucleation mechanism, in which a metastable intermediate phase (MIP) exists between the initial supersaturated solution and the final crystals. Depending on the exact free energy landscapes, the MIPs can be a high density liquid phase, mesoscopic clusters, or a pre-ordered state. In this review, we focus on the studies of nonclassical pathways in protein crystallization and discuss the applications of the various scenarios of two-step nucleation theory. In particular, we focus on protein solutions in the presence of multivalent salts, which serve as a model protein system to study the nucleation pathways. We wish to point out the unique features of proteins as model systems for further studies.

Nonclassical nucleation pathways in protein crystallization

Science.gov (United States)

Zhang, Fajun

2017-11-01

Classical nucleation theory (CNT), which was established about 90 years ago, has been very successful in many research fields, and continues to be the most commonly used theory in describing the nucleation process. For a fluid-to-solid phase transition, CNT states that the solute molecules in a supersaturated solution reversibly form small clusters. Once the cluster size reaches a critical value, it becomes thermodynamically stable and favored for further growth. One of the most important assumptions of CNT is that the nucleation process is described by one reaction coordinate and all order parameters proceed simultaneously. Recent studies in experiments, computer simulations and theory have revealed nonclassical features in the early stage of nucleation. In particular, the decoupling of order parameters involved during a fluid-to-solid transition leads to the so-called two-step nucleation mechanism, in which a metastable intermediate phase (MIP) exists between the initial supersaturated solution and the final crystals. Depending on the exact free energy landscapes, the MIPs can be a high density liquid phase, mesoscopic clusters, or a pre-ordered state. In this review, we focus on the studies of nonclassical pathways in protein crystallization and discuss the applications of the various scenarios of two-step nucleation theory. In particular, we focus on protein solutions in the presence of multivalent salts, which serve as a model protein system to study the nucleation pathways. We wish to point out the unique features of proteins as model systems for further studies.

Role of stacking disorder in ice nucleation.

Science.gov (United States)

Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H; Molinero, Valeria

2017-11-08

The freezing of water affects the processes that determine Earth's climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

Glassy aerosols with a range of compositions nucleate ice heterogeneously at cirrus temperatures

Directory of Open Access Journals (Sweden)

T. W. Wilson

2012-09-01

Full Text Available Atmospheric secondary organic aerosol (SOA is likely to exist in a semi-solid or glassy state, particularly at low temperatures and humidities. Previously, it has been shown that glassy aqueous citric acid aerosol is able to nucleate ice heterogeneously under conditions relevant to cirrus in the tropical tropopause layer (TTL. In this study we test if glassy aerosol distributions with a range of chemical compositions heterogeneously nucleate ice under cirrus conditions. Three single component aqueous solution aerosols (raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA and levoglucosan and one multi component aqueous solution aerosol (raffinose mixed with five dicarboxylic acids and ammonium sulphate were studied in both the liquid and glassy states at a large cloud simulation chamber. The investigated organic compounds have similar functionality to oxidised organic material found in atmospheric aerosol and have estimated temperature/humidity induced glass transition thresholds that fall within the range predicted for atmospheric SOA. A small fraction of aerosol particles of all compositions were found to nucleate ice heterogeneously in the deposition mode at temperatures relevant to the TTL (<200 K. Raffinose and HMMA, which form glasses at higher temperatures, nucleated ice heterogeneously at temperatures as high as 214.6 and 218.5 K respectively. We present the calculated ice active surface site density, n_s, of the aerosols tested here and also of glassy citric acid aerosol as a function of relative humidity with respect to ice (RH_i. We also propose a parameterisation which can be used to estimate heterogeneous ice nucleation by glassy aerosol for use in cirrus cloud models up to ~220 K. Finally, we show that heterogeneous nucleation by glassy aerosol may compete with ice nucleation on mineral dust particles in mid-latitudes cirrus.

Penguin colony attendance under artificial lights for ecotourism.

Science.gov (United States)

Rodríguez, Airam; Holmberg, Ross; Dann, Peter; Chiaradia, André

2018-03-30

Wildlife watching is an emerging ecotourism activity around the world. In Australia and New Zealand, night viewing of little penguins attracts hundreds of thousands of visitors per year. As penguins start coming ashore after sunset, artificial lighting is essential to allow visitors to view them in the dark. This alteration of the nightscape warrants investigation for any potential effects of artificial lighting on penguin behavior. We experimentally tested how penguins respond to different light wavelengths (colors) and intensities to examine effects on the colony attendance behavior at two sites on Phillip Island, Australia. At one site, nocturnal artificial illumination has been used for penguin viewing for decades, whereas at the other site, the only light is from the natural night sky. Light intensity did not affect colony attendance behaviors of penguins at the artificially lit site, probably due to penguin habituation to lights. At the not previously lit site, penguins preferred lit paths over dark paths to reach their nests. Thus, artificial light might enhance penguin vision at night and consequently it might reduce predation risk and energetic costs of locomotion through obstacle and path detection. Although penguins are faithful to their path, they can be drawn to artificial lights at small spatial scale, so light pollution could attract penguins to undesirable lit areas. When artificial lighting is required, we recommend keeping lighting as dim and time-restricted as possible to mitigate any negative effects on the behavior of penguins and their natural habitat. © 2018 Wiley Periodicals, Inc.

Formation of colloidal semiconductor nanocrystals. The aspect of nucleation

Energy Technology Data Exchange (ETDEWEB)

Kudera, S.

2007-08-17

The present work describes different techniques to control some major parameters of colloidal nanocrystals. The individual techniques rely on the manipulation of the nucleation event. The sensitive control of the nanocrystals' size and shape is discussed. Furthermore the formation of hybrid nanocrystals composed of different materials is presented. The synthesis technique for the production of the different samples involves organic solvents and surfactants and reactions at elevated temperatures. The presence of magic size clusters offers a possibility to control the size of the nanocrystals even at very small dimensions. The clusters produced comprise ca. 100 atoms. In the case of CdSe, nanocrystals of this size emit a blue fluorescence and therefore extend the routinely accessible spectrum for this material over the whole visible range. Samples fluorescing in the spectral range from green to red are produced with standard recipes. In this work a reaction scheme for magic size clusters is presented and a theoretical model to explain the particular behaviour of their growth dynamics is discussed. The samples are investigated by optical spectroscopy, transmission electron microscopy, X-ray diffraction and elemental analysis. A method to form branched nanocrystals is discussed. The branching point is analysed by high resolution transmission electron microscopy and proves for the occurrence of a multiple twinned structure are strengthened by simulation of the observed patterns. Two different techniques to generate nanocrystals of this type are presented. The first relies on a seeded growth approach in which the nucleation of the second material is allowed only on de ned sites of the seeds. The second technique uses the tips of pre-formed nano-dumbbells as sacrificial domains. The material on the tips is replaced by gold. Hybrid materials are formed by a seeded-growth mechanism. Pre-formed nanocrystals provide the nucleation sites for the second material. (orig.)

Formation of colloidal semiconductor nanocrystals. The aspect of nucleation

Energy Technology Data Exchange (ETDEWEB)

Kudera, S

2007-08-17

The present work describes different techniques to control some major parameters of colloidal nanocrystals. The individual techniques rely on the manipulation of the nucleation event. The sensitive control of the nanocrystals' size and shape is discussed. Furthermore the formation of hybrid nanocrystals composed of different materials is presented. The synthesis technique for the production of the different samples involves organic solvents and surfactants and reactions at elevated temperatures. The presence of magic size clusters offers a possibility to control the size of the nanocrystals even at very small dimensions. The clusters produced comprise ca. 100 atoms. In the case of CdSe, nanocrystals of this size emit a blue fluorescence and therefore extend the routinely accessible spectrum for this material over the whole visible range. Samples fluorescing in the spectral range from green to red are produced with standard recipes. In this work a reaction scheme for magic size clusters is presented and a theoretical model to explain the particular behaviour of their growth dynamics is discussed. The samples are investigated by optical spectroscopy, transmission electron microscopy, X-ray diffraction and elemental analysis. A method to form branched nanocrystals is discussed. The branching point is analysed by high resolution transmission electron microscopy and proves for the occurrence of a multiple twinned structure are strengthened by simulation of the observed patterns. Two different techniques to generate nanocrystals of this type are presented. The first relies on a seeded growth approach in which the nucleation of the second material is allowed only on de ned sites of the seeds. The second technique uses the tips of pre-formed nano-dumbbells as sacrificial domains. The material on the tips is replaced by gold. Hybrid materials are formed by a seeded-growth mechanism. Pre-formed nanocrystals provide the nucleation sites for the second material. (orig.)

Homogeneous nucleation of water in synthetic air

NARCIS (Netherlands)

Fransen, M.A.L.J.; Sachteleben, E.; Hruby, J.; Smeulders, D.M.J.; DeMott, P.J.; O'Dowd, C.D.

2013-01-01

Homogeneous nucleation rates for water vapor in synthetic air are measured by means of a Pulse-Expansion Wave Tube (PEWT). A comparison of the experimental nucleation rates with the Classical Nucleation Theory (CNT) shows that a more elaborated model is necessary to describe supercooled water

Simple improvements to classical bubble nucleation models.

Science.gov (United States)

Tanaka, Kyoko K; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Jürg

2015-08-01

We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a correct prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is ≃0.3σ independently of the temperature for argon bubble nucleation, where σ is the unit length of the Lennard-Jones potential. With this Tolman correction and our prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.

Homogeneous versus heterogeneous zeolite nucleation

NARCIS (Netherlands)

Dokter, W.H.; Garderen, van H.F.; Beelen, T.P.M.; Santen, van R.A.; Bras, W.

1995-01-01

Aggregates of fractal dimension were found in the intermediate gel phases that organize prior to nucleation and crystallization (shown right) of silicalite from a homogeneous reaction mixture. Small- and wide-angle X-ray scattering studies prove that for zeolites nucleation may be homogeneous or

Artificial sweeteners as potential tracers of municipal landfill leachate

International Nuclear Information System (INIS)

Roy, James W.; Van Stempvoort, Dale R.; Bickerton, Greg

2014-01-01

Artificial sweeteners are gaining acceptance as tracers of human wastewater in the environment. The 3 artificial sweeteners analyzed in this study were detected in leachate or leachate-impacted groundwater at levels comparable to those of untreated wastewater at 14 of 15 municipal landfill sites tested, including several closed for >50 years. Saccharin was the dominant sweetener in old (pre-1990) landfills, while newer landfills were dominated by saccharin and acesulfame (introduced 2 decades ago; dominant in wastewater). Cyclamate was also detected, but less frequently. A case study at one site illustrates the use of artificial sweeteners to identify a landfill-impacted groundwater plume discharging to a stream. The study results suggest that artificial sweeteners can be useful tracers for current and legacy landfill contamination, with relative abundances of the sweeteners potentially providing diagnostic ability to distinguish different landfills or landfill cells, including crude age-dating, and to distinguish landfill and wastewater sources. -- Highlights: • Artificial sweeteners detected at 14 of 15 municipal landfill sites. • Concentrations comparable to wastewater even at sites closed for >50 yr. • Saccharin elevated at all sites; potentially diagnostic of landfill impacts. • Potential for age-dating recent (past 2 decades) waste with acesulfame. -- Artificial sweeteners may be useful for tracing landfill leachate contamination and distinguishing it from wastewater impacts

Determination of critical nucleation number for a single nucleation amyloid-β aggregation model.

Science.gov (United States)

Ghosh, Preetam; Vaidya, Ashwin; Kumar, Amit; Rangachari, Vijayaraghavan

2016-03-01

Aggregates of amyloid-β (Aβ) peptide are known to be the key pathological agents in Alzheimer disease (AD). Aβ aggregates to form large, insoluble fibrils that deposit as senile plaques in AD brains. The process of aggregation is nucleation-dependent in which the formation of a nucleus is the rate-limiting step, and controls the physiochemical fate of the aggregates formed. Therefore, understanding the properties of nucleus and pre-nucleation events will be significant in reducing the existing knowledge-gap in AD pathogenesis. In this report, we have determined the plausible range of critical nucleation number (n(*)), the number of monomers associated within the nucleus for a homogenous aggregation model with single unique nucleation event, by two independent methods: A reduced-order stability analysis and ordinary differential equation based numerical analysis, supported by experimental biophysics. The results establish that the most likely range of n(*) is between 7 and 14 and within, this range, n(*) = 12 closely supports the experimental data. These numbers are in agreement with those previously reported, and importantly, the report establishes a new modeling framework using two independent approaches towards a convergent solution in modeling complex aggregation reactions. Our model also suggests that the formation of large protofibrils is dependent on the nature of n(*), further supporting the idea that pre-nucleation events are significant in controlling the fate of larger aggregates formed. This report has re-opened an old problem with a new perspective and holds promise towards revealing the molecular events in amyloid pathologies in the future. Copyright © 2015 Elsevier Inc. All rights reserved.

Monomer-dependent secondary nucleation in amyloid formation.

Science.gov (United States)

Linse, Sara

2017-08-01

Secondary nucleation of monomers on the surface of an already existing aggregate that is formed from the same kind of monomers may lead to autocatalytic amplification of a self-assembly process. Such monomer-dependent secondary nucleation occurs during the crystallization of small molecules or proteins and self-assembled materials, as well as in protein self-assembly into fibrous structures. Indications of secondary nucleation may come from analyses of kinetic experiments starting from pure monomers or monomers supplemented with a low concentration of pre-formed aggregates (seeds). More firm evidence requires additional experiments, for example those employing isotope labels to distinguish new aggregates arising from the monomer from those resulting from fragmentation of the seed. In cases of amyloid formation, secondary nucleation leads to the formation of toxic oligomers, and inhibitors of secondary nucleation may serve as starting points for therapeutic developments. Secondary nucleation displays a high degree of structural specificity and may be enhanced by mutations or screening of electrostatic repulsion.

Bubble nucleation in an explosive micro-bubble actuator

International Nuclear Information System (INIS)

Van den Broek, D M; Elwenspoek, M

2008-01-01

Explosive evaporation occurs when a thin layer of liquid reaches a temperature close to the critical temperature in a very short time. At these temperatures spontaneous nucleation takes place. The nucleated bubbles instantly coalesce forming a vapour film followed by rapid growth due to the pressure impulse. In this paper we take a closer look at the bubble nucleation. The moment of bubble nucleation was determined by both stroboscopic imaging and resistance thermometry. Two nucleation regimes could be distinguished. Several different heater designs were investigated under heat fluxes of hundreds of W mm −2 . A close correspondence between current density in the heater and point of nucleation was found. This results in design rules for effective heaters

Artificial intelligence

International Nuclear Information System (INIS)

Perret-Galix, D.

1992-01-01

A vivid example of the growing need for frontier physics experiments to make use of frontier technology is in the field of artificial intelligence and related themes. This was reflected in the second international workshop on 'Software Engineering, Artificial Intelligence and Expert Systems in High Energy and Nuclear Physics' which took place from 13-18 January at France Telecom's Agelonde site at La Londe des Maures, Provence. It was the second in a series, the first having been held at Lyon in 1990

Effects of shear flow on phase nucleation and crystallization.

Science.gov (United States)

Mura, Federica; Zaccone, Alessio

2016-04-01

Classical nucleation theory offers a good framework for understanding the common features of new phase formation processes in metastable homogeneous media at rest. However, nucleation processes in liquids are ubiquitously affected by hydrodynamic flow, and there is no satisfactory understanding of whether shear promotes or slows down the nucleation process. We developed a classical nucleation theory for sheared systems starting from the molecular level of the Becker-Doering master kinetic equation and we analytically derived a closed-form expression for the nucleation rate. The theory accounts for the effect of flow-mediated transport of molecules to the nucleus of the new phase, as well as for the mechanical deformation imparted to the nucleus by the flow field. The competition between flow-induced molecular transport, which accelerates nucleation, and flow-induced nucleus straining, which lowers the nucleation rate by increasing the nucleation energy barrier, gives rise to a marked nonmonotonic dependence of the nucleation rate on the shear rate. The theory predicts an optimal shear rate at which the nucleation rate is one order of magnitude larger than in the absence of flow.

Visual observation of gas hydrates nucleation and growth at a water - organic liquid interface

Science.gov (United States)

Stoporev, Andrey S.; Semenov, Anton P.; Medvedev, Vladimir I.; Sizikov, Artem A.; Gushchin, Pavel A.; Vinokurov, Vladimir A.; Manakov, Andrey Yu.

2018-03-01

Visual observation of nucleation sites of methane and methane-ethane-propane hydrates and their further growth in water - organic liquid - gas systems with/without surfactants was carried out. Sapphire Rocking Cell RCS6 with transparent sapphire cells was used. The experiments were conducted at the supercooling ΔTsub = 20.2 °C. Decane, toluene and crude oils were used as organics. Gas hydrate nucleation occurred on water - metal - gas and water - sapphire - organic liquid three-phase contact lines. At the initial stage of growth hydrate crystals rapidly covered the water - gas or water - organics interfaces (depending on the nucleation site). Further hydrate phase accrete on cell walls (sapphire surface) and into the organics volume. At this stage, growth was accompanied by water «drawing out» from under initial hydrate film formed at water - organic interface. Apparently, it takes place due to water capillary inflow in the reaction zone. It was shown that the hydrate crystal morphology depends on the organic phase composition. In the case of water-in-decane emulsion relay hydrate crystallization was observed in the whole sample, originating most likely due to the hydrate crystal intergrowth through decane. Contacts of such crystals with adjacent water droplets result in rapid hydrate crystallization on this droplet.

Interplay between collective pinning and artificial defects on domain wall propagation in Co/Pt multilayers

International Nuclear Information System (INIS)

Rodriguez-Rodriguez, G; Hierro-Rodriguez, A; Perez-Junquera, A; Montenegro, N; Alameda, J M; Velez, M; Menendez, J L; Ravelosona, D

2010-01-01

The interplay between collective pinning on intrinsic structural defects and artificial pinning at a patterned hole is studied in magnetic multilayers with perpendicular anisotropy. The pinning strength of a patterned hole is measured through its efficiency to stop domain wall (DW) propagation into a consecutive unpatterned nanowire section (using antisymmetric magnetoresistance to detect the direction of DW propagation) whereas collective pinning is characterized by the field dependence of DW velocity. Close to room temperature, collective pinning becomes weaker than artificial pinning so that pinning at the hole compensates nucleation-pad geometry, blocking DW propagation across the nanowire.

Prediction of flow boiling curves based on artificial neural network

International Nuclear Information System (INIS)

Wu Junmei; Xi'an Jiaotong Univ., Xi'an; Su Guanghui

2007-01-01

The effects of the main system parameters on flow boiling curves were analyzed by using an artificial neural network (ANN) based on the database selected from the 1960s. The input parameters of the ANN are system pressure, mass flow rate, inlet subcooling, wall superheat and steady/transition boiling, and the output parameter is heat flux. The results obtained by the ANN show that the heat flux increases with increasing inlet sub cooling for all heat transfer modes. Mass flow rate has no significant effects on nucleate boiling curves. The transition boiling and film boiling heat fluxes will increase with an increase of mass flow rate. The pressure plays a predominant role and improves heat transfer in whole boiling regions except film boiling. There are slight differences between the steady and the transient boiling curves in all boiling regions except the nucleate one. (authors)

Metadynamics studies of crystal nucleation

Science.gov (United States)

Giberti, Federico; Salvalaglio, Matteo; Parrinello, Michele

2015-01-01

Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation. PMID:25866662

Metadynamics studies of crystal nucleation

Directory of Open Access Journals (Sweden)

Federico Giberti

2015-03-01

Full Text Available Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation.

Artificial coastal lagoons at solar salt-working sites: A network of habitats for specialised, protected and alien biodiversity

Science.gov (United States)

Herbert, Roger J. H.; Broderick, Lee G.; Ross, Kathryn; Moody, Chris; Cruz, Tamira; Clarke, Leo; Stillman, Richard A.

2018-04-01

There are concerns that novel structures might displace protected species, facilitate the spread of non-indigenous species, or modify native habitats. It is also predicted that ocean warming and the associated effects of climate change will significantly increase biodiversity loss within coastal regions. Resilience is to a large extent influenced by the magnitude of dispersal and level of connectivity within and between populations. Therefore it is important to investigate the distribution and ecological significance of novel and artificial habitats, the presence of protected and alien species and potential vectors of propagule dispersal. The legacy of solar salt-making in tropical and warm temperate regions is regionally extensive areas of artificial hypersaline ponds, canals and ditches. Yet the broad-scale contribution of salt-working to a network of benthic biodiversity has not been fully established. Artisanal, abandoned and historic salt-working sites were investigated along the Atlantic coast of Europe between southern England (50°N) and Andalucía, Spain (36°N). Natural lagoons are scarce along this macrotidal coast and are vulnerable to environmental change; however it is suspected that avian propagule dispersal is important in maintaining population connectivity. During bird migration periods, benthic cores were collected for infauna from 70 waterbodies across 21 salt-working sites in 5 coastal regions. Bird ringing data were used to investigate potential avian connectivity between locations. Lagoonal specialist species, some of international conservation importance, were recorded across all regions in the storage reservoirs and evaporation ponds of continental salinas, yet few non-indigenous species were observed. Potential avian propagule transport and connectivity within and between extant salt-working sites is high and these artificial habitats are likely to contribute significantly to a network of coastal lagoon biodiversity in Europe.

Potential function of added minerals as nucleation sites and effect of humic substances on mineral formation by the nitrate-reducing Fe(II)-oxidizer Acidovorax sp. BoFeN1.

Science.gov (United States)

Dippon, Urs; Pantke, Claudia; Porsch, Katharina; Larese-Casanova, Phil; Kappler, Andreas

2012-06-19

The mobility of toxic metals and the transformation of organic pollutants in the environment are influenced and in many cases even controlled by iron minerals. Therefore knowing the factors influencing iron mineral formation and transformation by Fe(II)-oxidizing and Fe(III)-reducing bacteria is crucial for understanding the fate of contaminants and for the development of remediation technologies. In this study we followed mineral formation by the nitrate-reducing Fe(II)-oxidizing strain Acidovorax sp. BoFeN1 in the presence of the crystalline Fe(III) (oxyhydr)oxides goethite, magnetite and hematite added as potential nucleation sites. Mössbauer spectroscopy analysis of minerals precipitated by BoFeN1 in (57)Fe(II)-spiked microbial growth medium showed that goethite was formed in the absence of mineral additions as well as in the presence of goethite or hematite. The presence of magnetite minerals during Fe(II) oxidation induced the formation of magnetite in addition to goethite, while the addition of humic substances along with magnetite also led to goethite but no magnetite. This study showed that mineral formation not only depends on the aqueous geochemical conditions but can also be affected by the presence of mineral nucleation sites that initiate precipitation of the same underlying mineral phases.

Magnetic control of heterogeneous ice nucleation with nanophase magnetite: Biophysical and agricultural implications.

Science.gov (United States)

Kobayashi, Atsuko; Horikawa, Masamoto; Kirschvink, Joseph L; Golash, Harry N

2018-05-22

In supercooled water, ice nucleation is a stochastic process that requires ∼250-300 molecules to transiently achieve structural ordering before an embryonic seed crystal can nucleate. This happens most easily on crystalline surfaces, in a process termed heterogeneous nucleation; without such surfaces, water droplets will supercool to below -30 °C before eventually freezing homogeneously. A variety of fundamental processes depends on heterogeneous ice nucleation, ranging from desert-blown dust inducing precipitation in clouds to frost resistance in plants. Recent experiments have shown that crystals of nanophase magnetite (Fe 3 O 4 ) are powerful nucleation sites for this heterogeneous crystallization of ice, comparable to other materials like silver iodide and some cryobacterial peptides. In natural materials containing magnetite, its ferromagnetism offers the possibility that magneto-mechanical motion induced by external oscillating magnetic fields could act to disrupt the water-crystal interface, inhibiting the heterogeneous nucleation process in subfreezing water and promoting supercooling. For this to act, the magneto-mechanical rotation of the particles should be higher than the magnitude of Brownian motions. We report here that 10-Hz precessing magnetic fields, at strengths of 1 mT and above, on ∼50-nm magnetite crystals dispersed in ultrapure water, meet these criteria and do indeed produce highly significant supercooling. Using these rotating magnetic fields, we were able to elicit supercooling in two representative plant and animal tissues (celery and bovine muscle), both of which have detectable, natural levels of ferromagnetic material. Tailoring magnetic oscillations for the magnetite particle size distribution in different tissues could maximize this supercooling effect. Copyright © 2018 the Author(s). Published by PNAS.

Recent progress on understanding the mechanisms of amyloid nucleation.

Science.gov (United States)

Chatani, Eri; Yamamoto, Naoki

2018-04-01

Amyloid fibrils are supramolecular protein assemblies with a fibrous morphology and cross-β structure. The formation of amyloid fibrils typically follows a nucleation-dependent polymerization mechanism, in which a one-step nucleation scheme has widely been accepted. However, a variety of oligomers have been identified in early stages of fibrillation, and a nucleated conformational conversion (NCC) mechanism, in which oligomers serve as a precursor of amyloid nucleation and convert to amyloid nuclei, has been proposed. This development has raised the need to consider more complicated multi-step nucleation processes in addition to the simplest one-step process, and evidence for the direct involvement of oligomers as nucleation precursors has been obtained both experimentally and theoretically. Interestingly, the NCC mechanism has some analogy with the two-step nucleation mechanism proposed for inorganic and organic crystals and protein crystals, although a more dramatic conformational conversion of proteins should be considered in amyloid nucleation. Clarifying the properties of the nucleation precursors of amyloid fibrils in detail, in comparison with those of crystals, will allow a better understanding of the nucleation of amyloid fibrils and pave the way to develop techniques to regulate it.

Effect of CaCO3(S) nucleation modes on algae removal from alkaline water.

Science.gov (United States)

Choi, Jin Yong; Kinney, Kerry A; Katz, Lynn E

2016-02-29

The role of calcite heterogeneous nucleation was studied in a particle coagulation treatment process for removing microalgae from water. Batch experiments were conducted with Scenedesmus sp. and Chlorella sp. in the presence and absence of carbonate and in the presence and absence of Mg to delineate the role of CaCO 3(S) nucleation on microalgae removal. The results indicate that effective algae coagulation (e.g., up to 81 % algae removal efficiency) can be achieved via heterogeneous nucleation with CaCO 3(S) ; however, supersaturation ratios between 120 and 200 are required to achieve at least 50% algae removal, depending on ion concentrations. Algae removal was attributed to adsorption of Ca 2+ onto the cell surface which provides nucleation sites for CaCO 3(S) precipitation. Bridging of calcite particles between the algal cells led to rapid aggregation and formation of larger flocs. However, at higher supersaturation conditions, algae removal was diminished due to the dominance of homogeneous nucleation of CaCO 3(S) . Removal of algae in the presence of Ca 2+ and Mg 2+ required higher supersaturation values; however, the shift from heteronucleation to homonucleation with increasing supersaturation was still evident. The results suggest that water chemistry, pH, ionic strength, alkalinity and Ca 2+ concentration can be optimized for algae removal via coagulation-sedimentation.

Designing artificial 2D crystals with site and size controlled quantum dots.

Science.gov (United States)

Xie, Xuejun; Kang, Jiahao; Cao, Wei; Chu, Jae Hwan; Gong, Yongji; Ajayan, Pulickel M; Banerjee, Kaustav

2017-08-30

Ordered arrays of quantum dots in two-dimensional (2D) materials would make promising optical materials, but their assembly could prove challenging. Here we demonstrate a scalable, site and size controlled fabrication of quantum dots in monolayer molybdenum disulfide (MoS 2 ), and quantum dot arrays with nanometer-scale spatial density by focused electron beam irradiation induced local 2H to 1T phase change in MoS 2 . By designing the quantum dots in a 2D superlattice, we show that new energy bands form where the new band gap can be controlled by the size and pitch of the quantum dots in the superlattice. The band gap can be tuned from 1.81 eV to 1.42 eV without loss of its photoluminescence performance, which provides new directions for fabricating lasers with designed wavelengths. Our work constitutes a photoresist-free, top-down method to create large-area quantum dot arrays with nanometer-scale spatial density that allow the quantum dots to interfere with each other and create artificial crystals. This technique opens up new pathways for fabricating light emitting devices with 2D materials at desired wavelengths. This demonstration can also enable the assembly of large scale quantum information systems and open up new avenues for the design of artificial 2D materials.

Heterogeneous ice nucleation

Energy Technology Data Exchange (ETDEWEB)

Bogdan, A. [Helsinki Univ. (Finland). Dept. of Physics

1994-12-31

The classical theory of heterogenous ice nucleation is reviewed in detail. The modelling of ice nucleation in the adsorbed water films on natural particles by analogous ice nucleation in adsorbed water films on the walls of porous media is discussed. Ice nucleation in adsorbed films of purewater and the HNO{sub 3}/H{sub 2}0 binary system on the surface of porous aerosol (SiO{sub 2}) was investigated using the method of NMR spectroscopy. The median freezing temperature and freezing temperature region were shown to be highly sensitive both to the average thickness of the adsorbed films and to the amount of adsorbed nitric acid. The character of the ice phase formation tends to approach that of bulk liquid with increasing adsorbed film thickness. Under the given conditions the thickness of the adsorbed films decreases with an increasing amount of adsorbed nitric acid molecules The molar concentration of nitric acid in the adsorbed films is very small (of the order of 10{sup -}3 10{sup -}2 (M/l)). Nitric acid molecules tend to adsorb on the surface of aerosol to a greater extent than in subsequent layers. The concentration is greatest in layers situated close to the surface and sharply decreases with the distance from the surface. The difference between the median freezing temperatures for adsorbed pure water and for the binary system was found to be about 9 K for films of equal thickness. This is about 150 times greater than the difference between the median freezing temperatures of bulk pure water and a solution with the same concentration of nitric acid. (orig.)

On Capillary Rise and Nucleation

Science.gov (United States)

Prasad, R.

2008-01-01

A comparison of capillary rise and nucleation is presented. It is shown that both phenomena result from a balance between two competing energy factors: a volume energy and a surface energy. Such a comparison may help to introduce nucleation with a topic familiar to the students, capillary rise. (Contains 1 table and 3 figures.)

Field measurements of hygroscopic properties and state of mixing of nucleation mode particles

Directory of Open Access Journals (Sweden)

M. Väkevä

2002-01-01

Full Text Available An Ultrafine Tandem Differential Mobility Analyser (UF-TDMA has been used in several field campaigns over the last few years. The investigations were focused on the origin and properties of nucleation event aerosols, which are observed frequently in various environments. This paper gives a summary of the results of 10 nm and 20 nm particle hygroscopic properties from different measurement sites: an urban site, an urban background site and a forest site in Finland and a coastal site in western Ireland. The data can be classified in four hygroscopic growth classes: hydrofobic, less-hygroscopic, more-hygroscopic and sea-salt. Similar classification has been earlier presented for Aitken and accumulation mode particles. In urban air, the summertime 10 nm particles showed varying less-hygroscopic growth behaviour, while winter time 10 nm and 20 nm particles were externally mixed with two different hygroscopic growth modes. The forest measurements revealed diurnal behaviour of hygroscopic growth, with high growth factors at day time and lower during night. The urban background particles had growth behaviour similar to the urban and forest measurement sites depending on the origin of the observed particles. The coastal measurements were strongly affected by air mass history. Both 10 nm and 20 nm particles were hygroscopic in marine background air. The 10 nm particles produced during clean nucleation burst periods were hydrofobic. Diurnal variation and higher growth factors of 10 nm particles were observed in air affected by other source regions. External mixing was occasionally observed at all the sites, but incidents with more than two growth modes were extremely rare.

Snow-borne nanosized particles: Abundance, distribution, composition, and significance in ice nucleation processes

Science.gov (United States)

Rangel-Alvarado, Rodrigo Benjamin; Nazarenko, Yevgen; Ariya, Parisa A.

2015-11-01

Physicochemical processes of nucleation constitute a major uncertainty in understanding aerosol-cloud interactions. To improve the knowledge of the ice nucleation process, we characterized physical, chemical, and biological properties of fresh snow using a suite of state-of-the-art techniques based on mass spectrometry, electron microscopy, chromatography, and optical particle sizing. Samples were collected at two North American Arctic sites, as part of international campaigns (2006 and 2009), and in the city of Montreal, Canada, over the last decade. Particle size distribution analyses, in the range of 3 nm to 10 µm, showed that nanosized particles are the most numerous (38-71%) in fresh snow, with a significant portion (11 to 19%) less than 100 nm in size. Particles with diameters less than 200 nm consistently exhibited relatively high ice-nucleating properties (on average ranged from -19.6 ± 2.4 to -8.1 ± 2.6°C). Chemical analysis of the nanosized fraction suggests that they contain bioorganic materials, such as amino acids, as well as inorganic compounds with similar characteristics to mineral dust. The implication of nanoparticle ubiquity and abundance in diverse snow ecosystems are discussed in the context of their importance in understanding atmospheric nucleation processes.

Internet advertising of artificial tanning in Australia.

Science.gov (United States)

Team, Victoria; Markovic, Milica

2006-08-01

Artificial tanning, defined as deliberate exposure to ultraviolet rays produced by artificial tanning devices, is a new and emerging public health issue in Australia and globally. Epidemiological research suggests that artificial tanning may contribute to the incidence of melanoma, nonmelanoma skin cancer as well as other health problems. Given that Australia has a high incidence of skin cancer, we have undertaken a study to explore how artificial tanning has been promoted to its users. The aim was to analyze the completeness and accuracy of information about artificial tanning. A content analysis of web sites of tanning salons and distributors of tanning equipment in Australia was conducted. A total of 22 web sites were analyzed. None of the solarium operators or distributors of equipment provided full information about the risks of artificial tanning. Fifty-nine percent of web advertisements had no information and 41% provided only partial information regarding the risks of artificial tanning. Pictures with the image of bronze-tanned bodies, predominantly women, were used by all web advertisers. In light of the success of sun-safety campaigns in Australia, the findings of future epidemiological research on the prevalence of artificial tanning and sociological and anthropological research on why people utilize artificial tanning should be a basis for developing effective targeted health promotion on the elimination of artificial tanning in the country.

Rate of Homogenous Nucleation of Ice in Supercooled Water.

Science.gov (United States)

Atkinson, James D; Murray, Benjamin J; O'Sullivan, Daniel

2016-08-25

The homogeneous freezing of water is of fundamental importance to a number of fields, including that of cloud formation. However, there is considerable scatter in homogeneous nucleation rate coefficients reported in the literature. Using a cold stage droplet system designed to minimize uncertainties in temperature measurements, we examined the freezing of over 1500 pure water droplets with diameters between 4 and 24 μm. Under the assumption that nucleation occurs within the bulk of the droplet, nucleation rate coefficients fall within the spread of literature data and are in good agreement with a subset of more recent measurements. To quantify the relative importance of surface and volume nucleation in our experiments, where droplets are supported by a hydrophobic surface and surrounded by oil, comparison of droplets with different surface area to volume ratios was performed. From our experiments it is shown that in droplets larger than 6 μm diameter (between 234.6 and 236.5 K), nucleation in the interior is more important than nucleation at the surface. At smaller sizes we cannot rule out a significant contribution of surface nucleation, and in order to further constrain surface nucleation, experiments with smaller droplets are necessary. Nevertheless, in our experiments, it is dominantly volume nucleation controlling the observed nucleation rate.

A NEW FRAMEWORK FOR GEOSPATIAL SITE SELECTION USING ARTIFICIAL NEURAL NETWORKS AS DECISION RULES: A CASE STUDY ON LANDFILL SITES

Directory of Open Access Journals (Sweden)

S. K. M. Abujayyab

2015-10-01

Full Text Available This paper briefly introduced the theory and framework of geospatial site selection (GSS and discussed the application and framework of artificial neural networks (ANNs. The related literature on the use of ANNs as decision rules in GSS is scarce from 2000 till 2015. As this study found, ANNs are not only adaptable to dynamic changes but also capable of improving the objectivity of acquisition in GSS, reducing time consumption, and providing high validation. ANNs make for a powerful tool for solving geospatial decision-making problems by enabling geospatial decision makers to implement their constraints and imprecise concepts. This tool offers a way to represent and handle uncertainty. Specifically, ANNs are decision rules implemented to enhance conventional GSS frameworks. The main assumption in implementing ANNs in GSS is that the current characteristics of existing sites are indicative of the degree of suitability of new locations with similar characteristics. GSS requires several input criteria that embody specific requirements and the desired site characteristics, which could contribute to geospatial sites. In this study, the proposed framework consists of four stages for implementing ANNs in GSS. A multilayer feed-forward network with a backpropagation algorithm was used to train the networks from prior sites to assess, generalize, and evaluate the outputs on the basis of the inputs for the new sites. Two metrics, namely, confusion matrix and receiver operating characteristic tests, were utilized to achieve high accuracy and validation. Results proved that ANNs provide reasonable and efficient results as an accurate and inexpensive quantitative technique for GSS.

Sensitivity of ice-nucleating bacteria to ultraviolet irradiation

Energy Technology Data Exchange (ETDEWEB)

Obata, Hitoshi; Tanahashi, Shinji; Kawahara, Hidehisa (Kansai Univ., Suita, Osaka (Japan). Faculty of Engineering)

1992-01-01

The effect of ultraviolet (UV) irradiation on the ice-nucleating activity of the ice-nucleating bacteria was examined. Bacterial suspension was irradiated with UV (254 nm, 6Wx2) for 5 min at a distance of 20 cm from UV source. Although no viable cells were detected, the ice-nucreating activity of the cells was not affected. Furthermore, after UV irradiation for 3 hr, the ice-nucleating activity of Pseudomonas fluorescens and P. syringae was only slightly decreased, although that of P. viridiflava and Erwinia herbicola was significantly lowered. We succeeded in killing the ice-nucleating bacteria, while retaining their ice-nucleating activity with UV irradiation. (author).

Experimental investigation on the phenomena around the onset nucleate boiling during the impacting of a droplet on the hot surface

Energy Technology Data Exchange (ETDEWEB)

Mitrakusuma, Windy H., E-mail: windyhm@polban.ac.id [Graduate Program at Mechanical Engineering, Engineering Faculty, Gadjah Mada University, Jl. Grafika No. 2 Yogyakarta 55281 (Indonesia); Refrigeration and Airconditioning Department, Politeknik Negeri Bandung, Jl. Gegerkalong Hilir, Ds. Ciwaruga Kotak Pos 1234 Bandung (Indonesia); Deendarlianto,; Kamal, Samsul; Indarto [Mechanical and Industrial Department, Engineering Faculty, Gadjah Mada University, Jl. Grafika No. 2 Yogyakarta 55281 (Indonesia); Centre for Energy Studies, Gadjah Mada University, Sekip K-1A Kampus UGM, Yogyakarta 55281 (Indonesia); Nuriyadi, M. [Refrigeration and Airconditioning Department, Politeknik Negeri Bandung, Jl. Gegerkalong Hilir, Ds. Ciwaruga Kotak Pos 1234 Bandung (Indonesia)

2016-06-03

Onset of nucleate boiling of a droplet when impacted onto hot surface was investigated. Three kinds of surfaces, normal stainless steel (NSS), stainless steel with TiO{sub 2} coating (UVN), and stainless steel with TiO{sub 2} coating and radiated by ultraviolet ray were employed to examine the effect of wettability. The droplet size was 2.4 mm diameter, and dropped under different We number. The image is generated by high speed camera with the frame speed of 1000 fps. The boiling conditions are identified as natural convection, nucleate boiling, critical heat flux, transition, and film boiling. In the present report, the discussion will be focused on the beginning of nucleate boiling on the droplet. Nucleate boiling occurs when bubbles are generated. These bubbles are probably caused by nucleation on the impurities within the liquid rather than at nucleation sites on the heated surface because the bubbles appear to be in the bulk of the liquid instead of at the liquid-solid interface. In addition, the smaller the contact angle, the fastest the boiling.

Application of a series of artificial neural networks to on-site quantitative analysis of lead into real soil samples by laser induced breakdown spectroscopy

International Nuclear Information System (INIS)

El Haddad, J.; Bruyère, D.; Ismaël, A.; Gallou, G.; Laperche, V.; Michel, K.; Canioni, L.; Bousquet, B.

2014-01-01

Artificial neural networks were applied to process data from on-site LIBS analysis of soil samples. A first artificial neural network allowed retrieving the relative amounts of silicate, calcareous and ores matrices into soils. As a consequence, each soil sample was correctly located inside the ternary diagram characterized by these three matrices, as verified by ICP-AES. Then a series of artificial neural networks were applied to quantify lead into soil samples. More precisely, two models were designed for classification purpose according to both the type of matrix and the range of lead concentrations. Then, three quantitative models were locally applied to three data subsets. This complete approach allowed reaching a relative error of prediction close to 20%, considered as satisfying in the case of on-site analysis. - Highlights: • Application of a series of artificial neural networks (ANN) to quantitative LIBS • Matrix-based classification of the soil samples by ANN • Concentration-based classification of the soil samples by ANN • Series of quantitative ANN models dedicated to the analysis of data subsets • Relative error of prediction lower than 20% for LIBS analysis of soil samples

A classical view on nonclassical nucleation.

Science.gov (United States)

Smeets, Paul J M; Finney, Aaron R; Habraken, Wouter J E M; Nudelman, Fabio; Friedrich, Heiner; Laven, Jozua; De Yoreo, James J; Rodger, P Mark; Sommerdijk, Nico A J M

2017-09-19

Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO 3 ) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO 3 nucleation is still a topic of intense discussion, with new pathways for its growth from ions in solution proposed in recent years. These new pathways include the so-called nonclassical nucleation mechanism via the assembly of thermodynamically stable prenucleation clusters, as well as the formation of a dense liquid precursor phase via liquid-liquid phase separation. Here, we present results from a combined experimental and computational investigation on the precipitation of CaCO 3 in dilute aqueous solutions. We propose that a dense liquid phase (containing 4-7 H 2 O per CaCO 3 unit) forms in supersaturated solutions through the association of ions and ion pairs without significant participation of larger ion clusters. This liquid acts as the precursor for the formation of solid CaCO 3 in the form of vaterite, which grows via a net transfer of ions from solution according to z Ca 2+ + z CO 3 2- → z CaCO 3 The results show that all steps in this process can be explained according to classical concepts of crystal nucleation and growth, and that long-standing physical concepts of nucleation can describe multistep, multiphase growth mechanisms.

Nucleation versus instability race in strained films

Science.gov (United States)

Liu, Kailang; Berbezier, Isabelle; David, Thomas; Favre, Luc; Ronda, Antoine; Abbarchi, Marco; Voorhees, Peter; Aqua, Jean-Noël

2017-10-01

Under the generic term "Stranski-Krastanov" are grouped two different growth mechanisms of SiGe quantum dots. They result from the self-organized Asaro-Tiller-Grinfel'd (ATG) instability at low strain, while at high strain, from a stochastic nucleation. While these regimes are well known, we elucidate here the origin of the transition between these two pathways thanks to a joint theoretical and experimental work. Nucleation is described within the master equation framework. By comparing the time scales for ATG instability development and three-dimensional (3D) nucleation onset, we demonstrate that the transition between these two regimes is simply explained by the crossover between their divergent evolutions. Nucleation exhibits a strong exponential deviation at low strain while ATG behaves only algebraically. The associated time scale varies with exp(1 /x4) for nucleation, while it only behaves as 1 /x8 for the ATG instability. Consequently, at high (low) strain, nucleation (instability) occurs faster and inhibits the alternate evolution. It is then this different kinetic evolution which explains the transition from one regime to the other. Such a kinetic view of the transition between these two 3D growth regimes was not provided before. The crossover between nucleation and ATG instability is found to occur both experimentally and theoretically at a Ge composition around 50% in the experimental conditions used here. Varying the experimental conditions and/or the system parameters does not allow us to suppress the transition. This means that the SiGe quantum dots always grow via ATG instability at low strain and nucleation at high strain. This result is important for the self-organization of quantum dots.

Do protein crystals nucleate within dense liquid clusters?

International Nuclear Information System (INIS)

Maes, Dominique; Vorontsova, Maria A.; Potenza, Marco A. C.; Sanvito, Tiziano; Sleutel, Mike; Giglio, Marzio; Vekilov, Peter G.

2015-01-01

The evolution of protein-rich clusters and nucleating crystals were characterized by dynamic light scattering (DLS), confocal depolarized dynamic light scattering (cDDLS) and depolarized oblique illumination dark-field microscopy. Newly nucleated crystals within protein-rich clusters were detected directly. These observations indicate that the protein-rich clusters are locations for crystal nucleation. Protein-dense liquid clusters are regions of high protein concentration that have been observed in solutions of several proteins. The typical cluster size varies from several tens to several hundreds of nanometres and their volume fraction remains below 10 −3 of the solution. According to the two-step mechanism of nucleation, the protein-rich clusters serve as locations for and precursors to the nucleation of protein crystals. While the two-step mechanism explained several unusual features of protein crystal nucleation kinetics, a direct observation of its validity for protein crystals has been lacking. Here, two independent observations of crystal nucleation with the proteins lysozyme and glucose isomerase are discussed. Firstly, the evolutions of the protein-rich clusters and nucleating crystals were characterized simultaneously by dynamic light scattering (DLS) and confocal depolarized dynamic light scattering (cDDLS), respectively. It is demonstrated that protein crystals appear following a significant delay after cluster formation. The cDDLS correlation functions follow a Gaussian decay, indicative of nondiffusive motion. A possible explanation is that the crystals are contained inside large clusters and are driven by the elasticity of the cluster surface. Secondly, depolarized oblique illumination dark-field microscopy reveals the evolution from liquid clusters without crystals to newly nucleated crystals contained in the clusters to grown crystals freely diffusing in the solution. Collectively, the observations indicate that the protein-rich clusters in

The Leipzig Ice Nucleation chamber Comparison (LINC): An overview of ice nucleation measurements observed with four on-line ice nucleation devices

Science.gov (United States)

Kohn, Monika; Wex, Heike; Grawe, Sarah; Hartmann, Susan; Hellner, Lisa; Herenz, Paul; Welti, André; Stratmann, Frank; Lohmann, Ulrike; Kanji, Zamin A.

2016-04-01

Mixed-phase clouds (MPCs) are found to be the most relevant cloud type leading to precipitation in mid-latitudes. The formation of ice crystals in MPCs is not completely understood. To estimate the effect of aerosol particles on the radiative properties of clouds and to describe ice nucleation in models, the specific properties of aerosol particles acting as ice nucleating particles (INPs) still need to be identified. A number of devices are able to measure INPs in the lab and in the field. However, methods can be very different and need to be tested under controlled conditions with respect to aerosol generation and properties in order to standardize measurement and data analysis approaches for subsequent ambient measurements. Here, we present an overview of the LINC campaign hosted at TROPOS in September 2015. We compare four ice nucleation devices: PINC (Portable Ice Nucleation Chamber, Chou et al., 2011) and SPIN (SPectrometer for Ice Nuclei) are operated in deposition nucleation and condensation freezing mode. LACIS (Leipzig Aerosol Cloud Interaction Simulator, Hartmann et al., 2011) and PIMCA (Portable Immersion Mode Cooling chamber) measure in the immersion freezing mode. PIMCA is used as a vertical extension to PINC and allows activation and droplet growth prior to exposure to the investigated ice nucleation temperature. Size-resolved measurements of multiple aerosol types were performed including pure mineral dust (K-feldspar, kaolinite) and biological particles (Birch pollen washing waters) as well as some of them after treatment with sulfuric or nitric acid prior to experiments. LACIS and PIMCA-PINC operated in the immersion freezing mode showed very good agreement in the measured frozen fraction (FF). For the comparison between PINC and SPIN, which were scanning relative humidity from below to above water vapor saturation, an agreement was found for the obtained INP concentration. However, some differences were observed, which may result from ice

Nucleation of colloidal crystals on configurable seed structures

NARCIS (Netherlands)

Hermes, M; Vermolen, E.C.M.; Leunissen, M.E.; Vossen, D.L.J.; van Oostrum, P.D.J.; Dijkstra, M.; van Blaaderen, A.

2011-01-01

Nucleation is an important stage in the growth of crystals. During this stage, the structure and orientation of a crystal are determined. However, short time- and length-scales make nucleation poorly understood. Micrometer-sized colloidal particles form an ideal model system to study nucleation due

Dynamics of ice nucleation on water repellent surfaces.

Science.gov (United States)

Alizadeh, Azar; Yamada, Masako; Li, Ri; Shang, Wen; Otta, Shourya; Zhong, Sheng; Ge, Liehui; Dhinojwala, Ali; Conway, Ken R; Bahadur, Vaibhav; Vinciquerra, A Joseph; Stephens, Brian; Blohm, Margaret L

2012-02-14

Prevention of ice accretion and adhesion on surfaces is relevant to many applications, leading to improved operation safety, increased energy efficiency, and cost reduction. Development of passive nonicing coatings is highly desirable, since current antiicing strategies are energy and cost intensive. Superhydrophobicity has been proposed as a lead passive nonicing strategy, yet the exact mechanism of delayed icing on these surfaces is not clearly understood. In this work, we present an in-depth analysis of ice formation dynamics upon water droplet impact on surfaces with different wettabilities. We experimentally demonstrate that ice nucleation under low-humidity conditions can be delayed through control of surface chemistry and texture. Combining infrared (IR) thermometry and high-speed photography, we observe that the reduction of water-surface contact area on superhydrophobic surfaces plays a dual role in delaying nucleation: first by reducing heat transfer and second by reducing the probability of heterogeneous nucleation at the water-substrate interface. This work also includes an analysis (based on classical nucleation theory) to estimate various homogeneous and heterogeneous nucleation rates in icing situations. The key finding is that ice nucleation delay on superhydrophobic surfaces is more prominent at moderate degrees of supercooling, while closer to the homogeneous nucleation temperature, bulk and air-water interface nucleation effects become equally important. The study presented here offers a comprehensive perspective on the efficacy of textured surfaces for nonicing applications.

Evidence for a central role of PrP helix 2 in the nucleation of amyloid fibrils.

Science.gov (United States)

Honda, Ryo; Kuwata, Kazuo

2018-02-01

Amyloid fibrils are filamentous protein aggregates associated with the pathogenesis of a wide variety of human diseases. The formation of such aggregates typically follows nucleation-dependent kinetics, wherein the assembly and structural conversion of amyloidogenic proteins into oligomeric aggregates (nuclei) is the rate-limiting step of the overall reaction. In this study, we sought to gain structural insights into the oligomeric nuclei of the human prion protein (PrP) by preparing a series of deletion mutants lacking 14-44 of the C-terminal 107 residues of PrP and examined the kinetics and thermodynamics of these mutants in amyloid formation. An analysis of the experimental data using the concepts of the Φ-value analysis indicated that the helix 2 region (residues 168-196) acquires an amyloid-like β-sheet during nucleation, whereas the other regions preserves a relatively disordered structure in the nuclei. This finding suggests that the helix 2 region serves as the nucleation site for the assembly of amyloid fibrils.-Honda, R., Kuwata, K. Evidence for a central role of PrP helix 2 in the nucleation of amyloid fibrils.

Tuning Ice Nucleation with Supercharged Polypeptides

NARCIS (Netherlands)

Yang, Huige; Ma, Chao; Li, Kaiyong; Liu, Kai; Loznik, Mark; Teeuwen, Rosalie; van Hest, Jan C. M.; Zhou, Xin; Herrmann, Andreas; Wang, Jianjun

2016-01-01

Supercharged unfolded polypeptides (SUPs) are exploited for controlling ice nucleation via tuning the nature of charge and charge density of SUPs. The results show that positively charged SUPs facilitate ice nucleation, while negatively charged ones suppress it. Moreover, the charge density of the

Ice nucleation rates near ˜225 K

Science.gov (United States)

Amaya, Andrew J.; Wyslouzil, Barbara E.

2018-02-01

We have measured the ice nucleation rates, Jice, in supercooled nano-droplets with radii ranging from 6.6 nm to 10 nm and droplet temperatures, Td, ranging from 225 K to 204 K. The initial temperature of the 10 nm water droplets is ˜250 K, i.e., well above the homogeneous nucleation temperature for micron sized water droplets, TH ˜235 K. The nucleation rates increase systematically from ˜1021 cm-3 s-1 to ˜1022 cm-3 s-1 in this temperature range, overlap with the nucleation rates of Manka et al. [Phys. Chem. Chem. Phys. 14, 4505 (2012)], and suggest that experiments with larger droplets would extrapolate smoothly the rates of Hagen et al. [J. Atmos. Sci. 38, 1236 (1981)]. The sharp corner in the rate data as temperature drops is, however, difficult to match with available theory even if we correct classical nucleation theory and the physical properties of water for the high internal pressure of the nanodroplets.

Heterogeneous nucleation of entrained eutectic Si in high purity melt spun Al-Si alloys investigated by entrained droplet technique and DSC

International Nuclear Information System (INIS)

Li, J H; Schumacher, P; Albu, M; Hofer, F; Ludwig, T H; Arnberg, L

2016-01-01

Entrained droplet technique and DSC analyses were employed to investigate the influence of trace elements of Sr, Eu and P on the heterogeneous nucleation of entrained eutectic Si in high purity melt spun Al-5wt.% Si alloys. Sr and Eu addition was found to exert negative effects on the nucleation process, while an increased undercooling was observed. This can be attributed to the formation of phosphide compounds having a lower free energy and hence may preferentially form compared to AlP. Only a trace P addition was found to have a profound effect on the nucleation process. The nucleation kinetics is discussed on the basis of the classical nucleation theory and the free growth model, respectively. The estimated AlP patch size was found to be sufficient for the free growth of Si to occur within the droplets, which strongly indicates that the nucleation of Si on an AlP patch or AlP particle is a limiting step for free growth. The maximum nucleation site density within one droplet is directly related to the size distribution of AlP particles or AlP patches for Si nucleation, but is independent of the cooling rates. Although the nucleation conditions were optimized in entrained droplet experiments, the observed mechanisms are also valid at moderate cooling conditions, such as in shape casting. (paper)

Janus effect of antifreeze proteins on ice nucleation.

Science.gov (United States)

Liu, Kai; Wang, Chunlei; Ma, Ji; Shi, Guosheng; Yao, Xi; Fang, Haiping; Song, Yanlin; Wang, Jianjun

2016-12-20

The mechanism of ice nucleation at the molecular level remains largely unknown. Nature endows antifreeze proteins (AFPs) with the unique capability of controlling ice formation. However, the effect of AFPs on ice nucleation has been under debate. Here we report the observation of both depression and promotion effects of AFPs on ice nucleation via selectively binding the ice-binding face (IBF) and the non-ice-binding face (NIBF) of AFPs to solid substrates. Freezing temperature and delay time assays show that ice nucleation is depressed with the NIBF exposed to liquid water, whereas ice nucleation is facilitated with the IBF exposed to liquid water. The generality of this Janus effect is verified by investigating three representative AFPs. Molecular dynamics simulation analysis shows that the Janus effect can be established by the distinct structures of the hydration layer around IBF and NIBF. Our work greatly enhances the understanding of the mechanism of AFPs at the molecular level and brings insights to the fundamentals of heterogeneous ice nucleation.

Energetics of dislocation nucleation under a nanoindenter

International Nuclear Information System (INIS)

Zhang Chuanli; Xu Guanshui

2005-01-01

We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip

Energetics of dislocation nucleation under a nanoindenter

Energy Technology Data Exchange (ETDEWEB)

Zhang Chuanli [College of Mechanical Engineering, Yangtze University, Jingzhou, Hubei 434023 (China); Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States); Xu Guanshui [Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States)]. E-mail: guanshui.xu@ucr.edu

2005-07-25

We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip.

Molecular-dynamics simulations of urea nucleation from aqueous solution

Science.gov (United States)

Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

2015-01-01

Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete. PMID:25492932

Molecular-dynamics simulations of urea nucleation from aqueous solution.

Science.gov (United States)

Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

2015-01-06

Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete.

Non stationary nucleation: the model with minimal environment

OpenAIRE

Kurasov, Victor

2013-01-01

A new model to calculate the rate of nucleation is formulated. This model is based on the classical nucleation theory but considers also vapor depletion around the formed embryo. As the result the free energy has to be recalculated which brings a new expression for the nucleation rate.

Physical characterization of diesel exhaust nucleation mode particles

Energy Technology Data Exchange (ETDEWEB)

Lahde, T.

2013-11-01

An increasing concern of the adverse health effects of aerosol particles is forcing the combustion engine industry to develop engines with lower particle emissions. The industry has put most of their efforts into soot control and has achieved a significant reduction in diesel exhaust particle mass. Nevertheless, it is not clear that the large particles, dominating the mass, cause the harmfulness of the exhaust particles in the biological interaction. Nowadays, the harmful potential of diesel exhaust particles often connects with the particle surface area, and the view has turned to particle number below 100 nm size range. Unfortunately, the achieved low exhaust particle mass does not necessarily imply a low particle number. This text focuses on the physical characteristics of diesel exhaust nucleation model particles. The volatility characteristics and the electrical charge state of the particles are studied first. Second, the relation between the nonvolatile nucleation mode emissions and the soot, the nitrogen oxide (NO{sub x}) emissions and the engine parameters are covered. The nucleation mode particles had distinctively different physical characteristics with different after-treatment systems. The nucleation mode was volatile and electrically neutral with a diesel particle filter after-treatment system. Without an after-treatment system or with an after-treatment system with low particle removal efficiency, the nucleation mode was partly nonvolatile and included an electrical charge. The difference suggests different formation routes for the nucleation particles with different after-treatment systems. The existence of the nonvolatile nucleation mode particles also affected the soot mode charge state. The soot charge state was positively biased when the nonvolatile nucleation mode was detected but slightly negatively biased when the nonvolatile nucleation mode was absent. The nonvolatile nucleation mode was always negatively biased. This electrical charge

Return to nucleate boiling

International Nuclear Information System (INIS)

Shumway, R.W.

1985-01-01

This paper presents a collection of TMIN (temperature of return to nucleate boiling) correlations, evaluates them under several conditions, and compares them with a wide range of data. Purpose is to obtain the best one for use in a water reactor safety computer simulator known as TRAC-B. Return to nucleate boiling can occur in a reactor accident at either high or low pressure and flow rates. Most of the correlations yield unrealistic results under some conditions. A new correlation is proposed which overcomes many of the deficiencies

A nucleator arms race: cellular control of actin assembly.

Science.gov (United States)

Campellone, Kenneth G; Welch, Matthew D

2010-04-01

For over a decade, the actin-related protein 2/3 (ARP2/3) complex, a handful of nucleation-promoting factors and formins were the only molecules known to directly nucleate actin filament formation de novo. However, the past several years have seen a surge in the discovery of mammalian proteins with roles in actin nucleation and dynamics. Newly recognized nucleation-promoting factors, such as WASP and SCAR homologue (WASH), WASP homologue associated with actin, membranes and microtubules (WHAMM), and junction-mediating regulatory protein (JMY), stimulate ARP2/3 activity at distinct cellular locations. Formin nucleators with additional biochemical and cellular activities have also been uncovered. Finally, the Spire, cordon-bleu and leiomodin nucleators have revealed new ways of overcoming the kinetic barriers to actin polymerization.

Simulations of a non-Markovian description of nucleation

NARCIS (Netherlands)

Kuipers, J.; Barkema, G.T.

2010-01-01

In most nucleation theories, the state of a nucleating system is described by a distribution of droplet masses and this distribution evolves as a memoryless stochastic process. This is incorrect for a large class of nucleating systems. In a recent paper [ J. Kuipers and G. T. Barkema, Phys. Rev. E

Impact of surface nanostructure on ice nucleation.

Science.gov (United States)

Zhang, Xiang-Xiong; Chen, Min; Fu, Ming

2014-09-28

Nucleation of water on solid surface can be promoted noticeably when the lattice parameter of a surface matches well with the ice structure. However, the characteristic length of the surface lattice reported is generally less than 0.5 nm and is hardly tunable. In this paper, we show that a surface with nanoscale roughness can also remarkably promote ice nucleation if the characteristic length of the surface structure matches well with the ice crystal. A series of surfaces composed of periodic grooves with same depth but different widths are constructed in molecular dynamics simulations. Water cylinders are placed on the constructed surfaces and frozen at constant undercooling. The nucleation rates of the water cylinders are calculated in the simulation using the mean first-passage time method and then used to measure the nucleation promotion ability of the surfaces. Results suggest that the nucleation behavior of the supercooled water is significantly sensitive to the width of the groove. When the width of the groove matches well with the specific lengths of the ice crystal structure, the nucleation can be promoted remarkably. If the width does not match with the ice crystal, this kind of promotion disappears and the nucleation rate is even smaller than that on the smooth surface. Simulations also indicate that even when water molecules are adsorbed onto the surface structure in high-humidity environment, the solid surface can provide promising anti-icing ability as long as the characteristic length of the surface structure is carefully designed to avoid geometric match.

Heterogeneous nucleation of protein crystals on fluorinated layered silicate.

Directory of Open Access Journals (Sweden)

Keita Ino

Full Text Available Here, we describe an improved system for protein crystallization based on heterogeneous nucleation using fluorinated layered silicate. In addition, we also investigated the mechanism of nucleation on the silicate surface. Crystallization of lysozyme using silicates with different chemical compositions indicated that fluorosilicates promoted nucleation whereas the silicates without fluorine did not. The use of synthesized saponites for lysozyme crystallization confirmed that the substitution of hydroxyl groups contained in the lamellae structure for fluorine atoms is responsible for the nucleation-inducing property of the nucleant. Crystallization of twelve proteins with a wide range of pI values revealed that the nucleation promoting effect of the saponites tended to increase with increased substitution rate. Furthermore, the saponite with the highest fluorine content promoted nucleation in all the test proteins regardless of their overall net charge. Adsorption experiments of proteins on the saponites confirmed that the density of adsorbed molecules increased according to the substitution rate, thereby explaining the heterogeneous nucleation on the silicate surface.

AEROSOL NUCLEATION AND GROWTH DURING LAMINAR TUBE FLOW: MAXIMUM SATURATIONS AND NUCLEATION RATES. (R827354C008)

Science.gov (United States)

An approximate method of estimating the maximum saturation, the nucleation rate, and the total number nucleated per second during the laminar flow of a hot vapour–gas mixture along a tube with cold walls is described. The basis of the approach is that the temperature an...

Design and properties of a novel nucleating agent for isotactic polypropylene

International Nuclear Information System (INIS)

Lv, Zhiping; Yang, Yunfei; Wu, Ran; Tong, Yuchao

2012-01-01

Highlights: ► Three new nucleating agents which is structurally similar to Al-PTBBA were prepared. ► These three nucleating agents were very effective in increasing T c and X c of iPP. ► Great improvement of mechanical properties of nucleated iPP was also obtained. ► Nucleating agent TSD was the most effective nucleating agent for iPP. -- Abstract: Three new nucleating agents TB, TD and TSD (titanate of benzoate or 4-tert-Butylbenzoate) were prepared. Isotactic polypropylene (iPP) nucleated were studied by using thermogravimetry analysis (TGA), X-ray diffraction analysis (XRD), differential scanning calorimetry (DSC) and polarized light microscopy (PLM). The mechanical properties and Vicat softening temperature (VST) of iPP were also tested. The results indicated that these three nucleating agents were very effective in increasing the crystallization temperature (T c ) and crystallinity (X c ) of iPP. Mechanical properties of nucleated iPP were improved remarkably, especially nucleating agent TSD.

Nucleation, growth and transport modelling of helium bubbles under nuclear irradiation in lead–lithium with the self-consistent nucleation theory and surface tension corrections

International Nuclear Information System (INIS)

Fradera, J.; Cuesta-López, S.

2013-01-01

Highlights: • The work presented in this manuscript provides a reliable computational tool to quantify the He complex phenomena in a HCLL. • A model based on the self-consistent nucleation theory (SCT) is exposed. It includes radiation induced nucleation modelling and surface tension corrections. • Results informed reinforce the necessity of conducting experiments to determine nucleation conditions and bubble transport parameters in LM breeders. • Our findings and model provide a good qualitative insight into the helium nucleation phenomenon in LM systems for fusion technology and can be used to identify key system parameters. -- Abstract: Helium (He) nucleation in liquid metal breeding blankets of a DT fusion reactor may have a significant impact regarding system design, safety and operation. Large He production rates are expected due to tritium (T) fuel self-sufficiency requirement, as both, He and T, are produced at the same rate. Low He solubility, local high concentrations, radiation damage and fluid discontinuities, among other phenomena, may yield the necessary conditions for He nucleation. Hence, He nucleation may have a significant impact on T inventory and may lower the T breeding ratio. A model based on the self-consistent nucleation theory (SCT) with a surface tension curvature correction model has been implemented in OpenFOAM ® CFD code. A modification through a single parameter of the necessary nucleation condition is proposed in order to take into account all the nucleation triggering phenomena, specially radiation induced nucleation. Moreover, the kinetic growth model has been adapted so as to allow for the transition from a critical cluster to a macroscopic bubble with a diffusion growth process. Limitations and capabilities of the models are shown by means of zero-dimensional simulations and sensitivity analyses to key parameters under HCLL breeding unit conditions. Results provide a good qualitative insight into the helium nucleation

Nucleation, growth and transport modelling of helium bubbles under nuclear irradiation in lead–lithium with the self-consistent nucleation theory and surface tension corrections

Energy Technology Data Exchange (ETDEWEB)

Fradera, J., E-mail: jfradera@ubu.es; Cuesta-López, S., E-mail: scuesta@ubu.es

2013-12-15

Highlights: • The work presented in this manuscript provides a reliable computational tool to quantify the He complex phenomena in a HCLL. • A model based on the self-consistent nucleation theory (SCT) is exposed. It includes radiation induced nucleation modelling and surface tension corrections. • Results informed reinforce the necessity of conducting experiments to determine nucleation conditions and bubble transport parameters in LM breeders. • Our findings and model provide a good qualitative insight into the helium nucleation phenomenon in LM systems for fusion technology and can be used to identify key system parameters. -- Abstract: Helium (He) nucleation in liquid metal breeding blankets of a DT fusion reactor may have a significant impact regarding system design, safety and operation. Large He production rates are expected due to tritium (T) fuel self-sufficiency requirement, as both, He and T, are produced at the same rate. Low He solubility, local high concentrations, radiation damage and fluid discontinuities, among other phenomena, may yield the necessary conditions for He nucleation. Hence, He nucleation may have a significant impact on T inventory and may lower the T breeding ratio. A model based on the self-consistent nucleation theory (SCT) with a surface tension curvature correction model has been implemented in OpenFOAM{sup ®} CFD code. A modification through a single parameter of the necessary nucleation condition is proposed in order to take into account all the nucleation triggering phenomena, specially radiation induced nucleation. Moreover, the kinetic growth model has been adapted so as to allow for the transition from a critical cluster to a macroscopic bubble with a diffusion growth process. Limitations and capabilities of the models are shown by means of zero-dimensional simulations and sensitivity analyses to key parameters under HCLL breeding unit conditions. Results provide a good qualitative insight into the helium

Classical nucleation theory in the phase-field crystal model.

Science.gov (United States)

Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

2018-04-01

A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

Nucleation path of helium bubbles in metals during irradiation

International Nuclear Information System (INIS)

Morishita, Kazunori

2008-01-01

Thermodynamical formalization is made for description of the nucleation and growth of helium bubbles in metals during irradiation. The proposed formalization is available or evaluating both microstructural changes in fusion first wall materials where helium is produced by (n, α) nuclear transmutation reactions, and those in fusion divertor materials where helium particles with low energy are directly implanted. Calculated nucleation barrier is significantly reduced by the presence of helium, showing that a helium bubble with an appropriate number of helium atoms depending on bubble size can nucleate without any large nucleation barriers, even at a condition where an empty void has very large nucleation barrier without helium. With the proposed thermodynamical formalization, the nucleation and growth process of helium bubbles in iron during irradiation is simulated by the kinetic Monte-Carlo (KMC) technique. It shows the nucleation path of a helium bubble on the (N He , N V ) space as functions of temperatures and the concentration of helium in the matrix, where N He and N V are the number of helium atoms and vacancies in the helium bubble, respectively. Bubble growth rates depend on the nucleation path and suggest that two different mechanisms operate for bubble growth: one is controlled by vacancy diffusion and the other is controlled by interstitial helium diffusion. (author)

Classical nucleation theory in the phase-field crystal model

Science.gov (United States)

Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

2018-04-01

A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

Molecular nucleation mechanisms and control strategies for crystal polymorph selection

Science.gov (United States)

van Driessche, Alexander E. S.; van Gerven, Nani; Bomans, Paul H. H.; Joosten, Rick R. M.; Friedrich, Heiner; Gil-Carton, David; Sommerdijk, Nico A. J. M.; Sleutel, Mike

2018-04-01

The formation of condensed (compacted) protein phases is associated with a wide range of human disorders, such as eye cataracts, amyotrophic lateral sclerosis, sickle cell anaemia and Alzheimer’s disease. However, condensed protein phases have their uses: as crystals, they are harnessed by structural biologists to elucidate protein structures, or are used as delivery vehicles for pharmaceutical applications. The physiochemical properties of crystals can vary substantially between different forms or structures (‘polymorphs’) of the same macromolecule, and dictate their usability in a scientific or industrial context. To gain control over an emerging polymorph, one needs a molecular-level understanding of the pathways that lead to the various macroscopic states and of the mechanisms that govern pathway selection. However, it is still not clear how the embryonic seeds of a macromolecular phase are formed, or how these nuclei affect polymorph selection. Here we use time-resolved cryo-transmission electron microscopy to image the nucleation of crystals of the protein glucose isomerase, and to uncover at molecular resolution the nucleation pathways that lead to two crystalline states and one gelled state. We show that polymorph selection takes place at the earliest stages of structure formation and is based on specific building blocks for each space group. Moreover, we demonstrate control over the system by selectively forming desired polymorphs through site-directed mutagenesis, specifically tuning intermolecular bonding or gel seeding. Our results differ from the present picture of protein nucleation, in that we do not identify a metastable dense liquid as the precursor to the crystalline state. Rather, we observe nucleation events that are driven by oriented attachments between subcritical clusters that already exhibit a degree of crystallinity. These insights suggest ways of controlling macromolecular phase transitions, aiding the development of protein

Nucleation Characteristics in Physical Experiments/explosions

International Nuclear Information System (INIS)

Henry, R.E.; Fauske, Hans K.

1976-01-01

Large-scale vapor explosion experiments have shown that intimate contact between hot and cold liquids, and a temperature upon contact that is greater than the spontaneous nucleation temperature of the system, are two necessary conditions for the onset of large scale vapor explosions. A model, based on spontaneous nucleation of the homogeneous type, has been proposed to describe the relevant processes and the resulting energetics for explosive boiling systems. The model considers that spontaneous nucleation cannot occur either during the relief time for constant volume heating or until the thermal boundary layer is sufficiently thick to support a vapor cavity of the critical size. After nucleation, bubble growth does not occur until an acoustic wave establishes a pressure gradient in the cold liquid. These considerations lead to the prediction that, for a given temperature, drops greater than a critical size will remain in film boiling due to coalescence of vapor nuclei and drops smaller than this value will wet and be captured by the hot liquid surface. These results are compared to small drop data for well-wetted systems and excellent agreement is obtained between the observed behavior and the model predictions. In conclusion: A model, based on spontaneous nucleation, has been proposed to describe vaporization potential and behavior upon contact in a liquid/liquid system. This behavior is determined by the size of the liquid mass, single-phase pressurization and acoustic relief, nucleation frequency due to random density fluctuations, the initiation of unstable growth and acoustic relief, and the development of the thermal boundary layer in the cold liquid. The proposed model predicts that the stability of a given size drop upon intimate contact with another liquid is extremely dependent upon the interface temperature. For low interface temperatures, large masses will be captured by the hot liquid and the resulting vaporization rates will be extremely low because

Damage nucleation in Si during ion irradiation

International Nuclear Information System (INIS)

Holland, O.W.; Fathy, D.; Narayan, J.

1984-01-01

Damage nucleation in single crystals of silicon during ion irradiation is investigated. Experimental results and mechanisms for damage nucleation during both room and liquid nitrogen temperature irradiation with different mass ions are discussed. It is shown that the accumulation of damage during room temperature irradiation depends on the rate of implantation. These dose rate effects are found to decrease in magnitude as the mass of the ions is increased. The significance of dose rate effects and their mass dependence on nucleation mechanisms is discussed

Nanowires and nanoneedles nucleation on vicinal substrate

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xu, E-mail: zhangxubetter@gmail.com [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China); Xie, Dan; Huang, Genling [Zhengzhou Railway Vocational and Technical College, Zhengzhou 450052 (China); Sun, Xiao-Hong [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China)

2015-01-01

An analytic stress-driven nucleation model of nanowires (NWs) and nanoneedles (NNs) growing on a mismatched vicinal substrate is proposed. It is demonstrated that the formation enthalpy of NWs and NNs is a function of three independent variables, the base radius, aspect ratio and miscut angle of the vicinal surface. Theoretical analysis shows that the minimum nucleation barrier of an island decreases with increment of substrate misorientation, which means the nucleation of islands on a vicinal substrate is more favorable than that on a flat substrate.

Mammalian amyloidogenic proteins promote prion nucleation in yeast.

Science.gov (United States)

Chandramowlishwaran, Pavithra; Sun, Meng; Casey, Kristin L; Romanyuk, Andrey V; Grizel, Anastasiya V; Sopova, Julia V; Rubel, Aleksandr A; Nussbaum-Krammer, Carmen; Vorberg, Ina M; Chernoff, Yury O

2018-03-02

Fibrous cross-β aggregates (amyloids) and their transmissible forms (prions) cause diseases in mammals (including humans) and control heritable traits in yeast. Initial nucleation of a yeast prion by transiently overproduced prion-forming protein or its (typically, QN-rich) prion domain is efficient only in the presence of another aggregated (in most cases, QN-rich) protein. Here, we demonstrate that a fusion of the prion domain of yeast protein Sup35 to some non-QN-rich mammalian proteins, associated with amyloid diseases, promotes nucleation of Sup35 prions in the absence of pre-existing aggregates. In contrast, both a fusion of the Sup35 prion domain to a multimeric non-amyloidogenic protein and the expression of a mammalian amyloidogenic protein that is not fused to the Sup35 prion domain failed to promote prion nucleation, further indicating that physical linkage of a mammalian amyloidogenic protein to the prion domain of a yeast protein is required for the nucleation of a yeast prion. Biochemical and cytological approaches confirmed the nucleation of protein aggregates in the yeast cell. Sequence alterations antagonizing or enhancing amyloidogenicity of human amyloid-β (associated with Alzheimer's disease) and mouse prion protein (associated with prion diseases), respectively, antagonized or enhanced nucleation of a yeast prion by these proteins. The yeast-based prion nucleation assay, developed in our work, can be employed for mutational dissection of amyloidogenic proteins. We anticipate that it will aid in the identification of chemicals that influence initial amyloid nucleation and in searching for new amyloidogenic proteins in a variety of proteomes. © 2018 by The American Society for Biochemistry and Molecular Biology, Inc.

Trapping crystal nucleation of cholesterol monohydrate

DEFF Research Database (Denmark)

Solomonov, I.; Weygand, M.J.; Kjær, K.

2005-01-01

Crystalline nucleation of cholesterol at the air-water interface has been studied via grazing incidence x-ray diffraction using synchrotron radiation. The various stages of cholesterol molecular assembly from monolayer to three bilayers incorporating interleaving hydrogen-bonded water layers......, at least initially, an intralayer cholesterol rearrangement in a single-crystal-to-single-crystal transition. The preferred nucleation of the monoclinic phase of cholesterol . H2O followed by transformation to the stable monohydrate phase may be associated with an energetically more stable cholesterol...... bilayer arrangement of the former and a more favorable hydrogen-bonding arrangement of the latter. The relevance of this nucleation process of cholesterol monohydrate to pathological crystallization of cholesterol from cell biomembranes is discussed....

A parameterization of cloud droplet nucleation

International Nuclear Information System (INIS)

Ghan, S.J.; Chuang, C.; Penner, J.E.

1993-01-01

Droplet nucleation is a fundamental cloud process. The number of aerosols activated to form cloud droplets influences not only the number of aerosols scavenged by clouds but also the size of the cloud droplets. Cloud droplet size influences the cloud albedo and the conversion of cloud water to precipitation. Global aerosol models are presently being developed with the intention of coupling with global atmospheric circulation models to evaluate the influence of aerosols and aerosol-cloud interactions on climate. If these and other coupled models are to address issues of aerosol-cloud interactions, the droplet nucleation process must be adequately represented. Here we introduce a droplet nucleation parametrization that offers certain advantages over the popular Twomey (1959) parameterization

Aerosol nucleation induced by a high energy particle beam

DEFF Research Database (Denmark)

Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.

The effect of ions in aerosol nucleation is a subject where much remains to be discovered. That ions can enhance nucleation has been shown by theory, observations, and experiments. However, the exact mechanism still remains to be determined. One question is if the nature of the ionization affects...... the nucleation. This is an essential question since many experiments have been performed using radioactive sources that ionize differently than the cosmic rays which are responsible for the majority of atmospheric ionization. Here we report on an experimental study of sulphuric acid aerosol nucleation under near...... atmospheric conditions using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear and significant contribution from ion induced nucleation and consider this to be an unambiguous observation of the ion-effect on aerosol nucleation using a particle beam under conditions not far...

Heat transfer in nucleate pool boiling of aqueous SDS and triton X-100 solutions

Energy Technology Data Exchange (ETDEWEB)

Wasekar, Vivek M. [Tata Steel Limited, Department of Research and Development, Jamshedpur (India)

2009-09-15

Variation in degree of surface wettability is presented through the application of Cooper's correlative approach (h{proportional_to}M{sup -0.5}q{sub w}''0.67) for computing enhancement ({phi}) in nucleate pool boiling of aqueous solutions of SDS and Triton X-100 and its presentation with Marangoni parameter ({chi}) that represents the dynamic convection effects due to surface tension gradients. Dynamic spreading coefficient defined as {sigma} {sub dyn}N{sub a}, which relates spreading and wetting characteristics with the active nucleation site density on the heated surface and bubble evolution process, represents cavity filling and activation process and eliminates the concentration dependence of nucleate pool boiling heat transfer in boiling of aqueous surfactant solutions. Using the dynamic spreading coefficient ({sigma}{sub dyn}N{sub a}=0.09q{sub w}''0.71), correlation predictions within {+-}15% for both SDS and triton X-100 solutions for low heat flux boiling condition (q{sub w}''{<=} 100 kW/m {sup 2}) characterised primarily by isolated bubble regime are presented. (orig.)

Modelling the stochastic behaviour of primary nucleation.

Science.gov (United States)

Maggioni, Giovanni Maria; Mazzotti, Marco

2015-01-01

We study the stochastic nature of primary nucleation and how it manifests itself in a crystallisation process at different scales and under different operating conditions. Such characteristics of nucleation are evident in many experiments where detection times of crystals are not identical, despite identical experimental conditions, but instead are distributed around an average value. While abundant experimental evidence has been reported in the literature, a clear theoretical understanding and an appropriate modelling of this feature is still missing. In this contribution, we present two models describing a batch cooling crystallisation, where the interplay between stochastic nucleation and deterministic crystal growth is described differently in each. The nucleation and growth rates of the two models are estimated by a comprehensive set of measurements of paracetamol crystallisation from aqueous solution in a 1 mL vessel [Kadam et al., Chemical Engineering Science, 2012, 72, 10-19]. Both models are applied to the cooling crystallisation process above under different operating conditions, i.e. different volumes, initial concentrations, cooling rates. The advantages and disadvantages of the two approaches are illustrated and discussed, with particular reference to their use across scales of nucleation rate measured in very small crystallisers.

Aerosol nucleation induced by a high energy particle beam

DEFF Research Database (Denmark)

Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.

2011-01-01

We have studied sulfuric acid aerosol nucleation in an atmospheric pressure reaction chamber using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear contribution from ion-induced nucleation and consider this to be the first unambiguous observation of the ion......-effect on aerosol nucleation using a particle beam under conditions that resemble the Earth's atmosphere. By comparison with ionization using a gamma source we further show that the nature of the ionizing particles is not important for the ion-induced component of the nucleation. This implies that inexpensive...... ionization sources - as opposed to expensive accelerator beams - can be used for investigations of ion-induced nucleation....

Artificial islands for cluster-siting of offshore energy facilities: an assessment of the legal and regulatory framework

Energy Technology Data Exchange (ETDEWEB)

Backstrom, T.D.; Baram, M.

1976-06-01

One of the ways in which offshore coastal regions can be used in energy development is examined, namely through the construction of offshore islands for the siting of energy-related facilities. The purpose of the study is to review and assess the significant sectors of this accumulation of legal and regulatory authority, in order that those proposing and supervising such offshore development can formulate suggestions for coordination and rational allocation of responsibility. The potential demands on offshore resources are considerably greater than many would expect. In addition to offshore drilling and other mineral exploitation, there is increasing interest in safety of navigation, harvest and aquaculture of living marine resources, recreation, and preservation of uniquely valuable marine landscapes and ecosystems. Within this dynamic context, the offshore implications of the energy needs of the United States must be fully evaluated. New energy installations might be appropriately sited offshore on artificial islands. This legal and regulatory assessment contains little case law, new Congressional enactments, or proposed regulations and is, in general, a first-order analysis of the legal context for a new concept--the multiple-facility artificial island--which has not yet been tested, but which merits serious study as an alternative for uses of the offshore regions to meet energy requirements. An extensive bibliography containing 254 citations is included.

Dynamic observations of vesiculation reveal the role of silicate crystals in bubble nucleation and growth in andesitic magmas

Energy Technology Data Exchange (ETDEWEB)

Pleše, P.; Higgins, M. D.; Mancini, L.; Lanzafame, G.; Brun, F.; Fife, J. L.; Casselman, J.; Baker, D. R.

2018-01-01

Bubble nucleation and growth control the explosivity of volcanic eruptions, and the kinetics of these processes are generally determined from examinations of natural samples and quenched experimental run products. These samples, however, only provide a view of the final state, from which the initial conditions of a time-evolving magmatic system are then inferred. The interpretations that follow are inexact due to the inability of determining the exact conditions of nucleation and the potential detachment of bubbles from their nucleation sites, an uncertainty that can obscure their nucleation location – either homogeneously within the melt or heterogeneously at the interface between crystals and melts. We present results of a series of dynamic, real-time 4D X-ray tomographic microscopy experiments where we observed the development of bubbles in crystal bearing silicate magmas. Experimentally synthesized andesitic glasses with 0.25–0.5 wt% H2O and seed silicate crystals were heated at 1 atm to induce bubble nucleation and track bubble growth and movement. In contrast to previous studies on natural and experimentally produced samples, we found that bubbles readily nucleated on plagioclase and clinopyroxene crystals, that their contact angle changes during growth and that they can grow to sizes many times that of the silicate on whose surface they originated. The rapid heterogeneous nucleation of bubbles at low degrees of supersaturation in the presence of silicate crystals demonstrates that silicates can affect when vesiculation ensues, influencing subsequent permeability development and effusive vs. explosive transition in volcanic eruptions.

Dynamic observations of vesiculation reveal the role of silicate crystals in bubble nucleation and growth in andesitic magmas

Science.gov (United States)

Pleše, P.; Higgins, M. D.; Mancini, L.; Lanzafame, G.; Brun, F.; Fife, J. L.; Casselman, J.; Baker, D. R.

2018-01-01

Bubble nucleation and growth control the explosivity of volcanic eruptions, and the kinetics of these processes are generally determined from examinations of natural samples and quenched experimental run products. These samples, however, only provide a view of the final state, from which the initial conditions of a time-evolving magmatic system are then inferred. The interpretations that follow are inexact due to the inability of determining the exact conditions of nucleation and the potential detachment of bubbles from their nucleation sites, an uncertainty that can obscure their nucleation location - either homogeneously within the melt or heterogeneously at the interface between crystals and melts. We present results of a series of dynamic, real-time 4D X-ray tomographic microscopy experiments where we observed the development of bubbles in crystal bearing silicate magmas. Experimentally synthesized andesitic glasses with 0.25-0.5 wt% H2O and seed silicate crystals were heated at 1 atm to induce bubble nucleation and track bubble growth and movement. In contrast to previous studies on natural and experimentally produced samples, we found that bubbles readily nucleated on plagioclase and clinopyroxene crystals, that their contact angle changes during growth and that they can grow to sizes many times that of the silicate on whose surface they originated. The rapid heterogeneous nucleation of bubbles at low degrees of supersaturation in the presence of silicate crystals demonstrates that silicates can affect when vesiculation ensues, influencing subsequent permeability development and effusive vs. explosive transition in volcanic eruptions.

Nucleation and Growth Kinetics from LaMer Burst Data.

Science.gov (United States)

Chu, Daniel B K; Owen, Jonathan S; Peters, Baron

2017-10-12

In LaMer burst nucleation, the individual nucleation events happen en masse, quasi-simultaneously, and at nearly identical homogeneous conditions. These properties make LaMer burst nucleation important for applications that require monodispersed particles and also for theoretical analyses. Sugimoto and co-workers predicted that the number of nuclei generated during a LaMer burst depends only on the solute supply rate and the growth rate, independent of the nucleation kinetics. Some experiments confirm that solute supply kinetics control the number of nuclei, but flaws in the original theoretical analysis raise questions about the predicted roles of growth and nucleation kinetics. We provide a rigorous analysis of the coupled equations that govern concentrations of nuclei and solutes. Our analysis confirms that the number of nuclei is largely determined by the solute supply and growth rates, but our predicted relationship differs from that of Sugimoto et al. Moreover, we find that additional nucleus size dependent corrections should emerge in systems with slow growth kinetics. Finally, we show how the nucleation kinetics determine the particle size distribution. We suggest that measured particle size distributions might therefore provide ways to test theoretical models of homogeneous nucleation kinetics.

Nucleation in As2Se3 glass studied by DSC

International Nuclear Information System (INIS)

Svoboda, Roman; Málek, Jiří

2014-01-01

Highlights: • Nucleation behavior of As 2 Se 3 glass was studied by DSC in dependence on particle size. • Correlation between the enthalpies of fusion and crystallization were confirmed. • Apart from classical heterogeneous nucleation a second nucleation mechanism was found. • Rapid formation of crystallization centers from a damaged glassy structure occurs. • Mechanical defects seem to partially suppress the CNT nucleation process. - Abstract: Differential scanning calorimetry was used to study nucleation behavior in As 2 Se 3 glass, dependent on particle size. The nucleation process was examined for a series of different coarse powders; the nucleation rate was estimated from the proportion of the crystalline material fraction. The enthalpy of fusion was utilized in this respect, and a correlation between ΔH m and ΔH c was confirmed. Two mechanisms of nucleus formation were found: classical heterogeneous nucleation (following CNT) and so-called “activation” of mechanically-induced defects. The latter appears to represent rapid formation of crystallization centers from a damaged glassy structure, where complete saturation occurs for fine powders in the range of 195–235 °C. A high amount of mechanical defects, on the other hand, was found to partially suppress the CNT nucleation process

Characterization of 3-D particle distribution and effects on recrystallization studied by computer simulation

International Nuclear Information System (INIS)

Fridy, J.M.; Marthinsen, K.; Rouns, T.N.; Lippert, K.B.; Nes, E.; Richmond, O.

1992-12-01

Artificial particle distribution in three dimensions with different degree of clustering have been generated and used as nucleation sites for the simulation of particle stimulated recrystallization with site saturation nucleation kinetics. The clustering has a strong effect on both the Avrami exponent and the resulting sectioned grain size distributions. The Avrami exponent decreases rapidly from the expected value of 3 with the degree of clustering. A value of less than 1.5 is obtained for the Avrami exponent with a strongly clustered distribution of nucleation sites. The size distributions of sectioned grain areas are considerably broadened with clustering, but are still far from the log-normal distributions observed experimentally. A computer program has been developed to generate particle distributions whose pair correlation functions match experimentally measured functions. 15 refs., 6 figs

Nucleation, Melting Behaviour and Mechanical Properties of Poly(L ...

African Journals Online (AJOL)

Anew category of nucleating agent for poly(L-lactic acid) (PLLA) was developed. An organic nucleating agent; N,N'-bis(benzoyl) suberic acid dihydrazide (NA) was synthesized from benzoyl hydrazine and suberoyl chloride which was deprived from suberic acid via acylation. The nucleation, melting behaviour and ...

Urediospores of rust fungi are ice nucleation active at > -10 °C and harbor ice nucleation active bacteria

Science.gov (United States)

Morris, C. E.; Sands, D. C.; Glaux, C.; Samsatly, J.; Asaad, S.; Moukahel, A. R.; Gonçalves, F. L. T.; Bigg, E. K.

2013-04-01

Various features of the biology of the rust fungi and of the epidemiology of the plant diseases they cause illustrate the important role of rainfall in their life history. Based on this insight we have characterized the ice nucleation activity (INA) of the aerially disseminated spores (urediospores) of this group of fungi. Urediospores of this obligate plant parasite were collected from natural infections of 7 species of weeds in France, from coffee in Brazil and from field and greenhouse-grown wheat in France, the USA, Turkey and Syria. Immersion freezing was used to determine freezing onset temperatures and the abundance of ice nuclei in suspensions of washed spores. Microbiological analyses of spores from France, the USA and Brazil, and subsequent tests of the ice nucleation activity of the bacteria associated with spores were deployed to quantify the contribution of bacteria to the ice nucleation activity of the spores. All samples of spores were ice nucleation active, having freezing onset temperatures as high as -4 °C. Spores in most of the samples carried cells of ice nucleation-active strains of the bacterium Pseudomonas syringae (at rates of less than 1 bacterial cell per 100 urediospores), but bacterial INA accounted for only a small fraction of the INA observed in spore suspensions. Changes in the INA of spore suspensions after treatment with lysozyme suggest that the INA of urediospores involves a polysaccharide. Based on data from the literature, we have estimated the concentrations of urediospores in air at cloud height and in rainfall. These quantities are very similar to those reported for other biological ice nucleators in these same substrates. However, at cloud level convective activity leads to widely varying concentrations of particles of surface origin, so that mean concentrations can underestimate their possible effects on clouds. We propose that spatial and temporal concentrations of biological ice nucleators active at temperatures > -10 �

Urediospores of Puccinia spp. and other rusts are warm-temperature ice nucleators and harbor ice nucleation active bacteria

Science.gov (United States)

Morris, C. E.; Sands, D. C.; Glaux, C.; Samsatly, J.; Asaad, S.; Moukahel, A. R.; Gonçalves, F. L. T.; Bigg, E. K.

2012-10-01

In light of various features of the biology of the rust fungi and of the epidemiology of the plant diseases they cause that illustrate the important role of rainfall in their life history, we have characterized the ice nucleation activity (INA) of the aerially disseminated spores (urediospores) of this group of fungi. Urediospores of this obligate plant parasite were collected from natural infections from 7 species of weeds in France, from coffee in Brazil and from field and greenhouse-grown wheat in France, the USA, Turkey and Syria. Immersion freezing was used to determine freezing onset temperatures and the abundance of ice nuclei in suspensions of washed spores. Microbiological analyses of spores and subsequent tests of the ice nucleation activity of the bacteria associated with spores were deployed to quantify the contribution of bacteria to the ice nucleation activity of the spores. All samples of spores were ice nucleation active having freezing onset temperatures as warm as -4 °C. Spores in most of the samples carried cells of ice nucleation-active strains of the bacterium Pseudomonas syringae (at rates of less than 1 bacterial cell per 100 urediospores), but bacterial INA accounted for only a small fraction of the INA observed in spore suspensions. Changes in the INA of spore suspensions after treatment with lysozyme suggest that the INA of urediospores involves a polysaccharide. Based on data from the literature, we have estimated the concentrations of urediospores in air at cloud height and in rainfall. These quantities are very similar to those reported for other biological ice nucleators in these same substrates. We suggest that air sampling techniques have ignored the spatial and temporal variability of atmospheric concentrations that occur under conditions propitious for precipitation that could increase their local abundance intermittently. Nevertheless, we propose that the relative low abundance of warm-temperature biological ice nucleators in the

The laminar flow tube reactor as a quantitative tool for nucleation studies: Experimental results and theoretical analysis of homogeneous nucleation of dibutylphthalate

International Nuclear Information System (INIS)

Mikheev, Vladimir B.; Laulainen, Nels S.; Barlow, Stephan E.; Knott, Michael; Ford, Ian J.

2000-01-01

A laminar flow tube reactor was designed and constructed to provide an accurate, quantitative measurement of a nucleation rate as a function of supersaturation and temperature. Measurements of nucleation of a supersaturated vapor of dibutylphthalate have been made for the temperature range from -30.3 to +19.1 degree sign C. A thorough analysis of the possible sources of experimental uncertainties (such as defining the correct value of the initial vapor concentration, temperature boundary conditions on the reactor walls, accuracy of the calculations of the thermodynamic parameters of the nucleation zone, and particle concentration measurement) is given. Both isothermal and the isobaric nucleation rates were measured. The experimental data obtained were compared with the measurements of other experimental groups and with theoretical predictions made on the basis of the self-consistency correction nucleation theory. Theoretical analysis, based on the first and the second nucleation theorems, is also presented. The critical cluster size and the excess of internal energy of the critical cluster are obtained. (c) 2000 American Institute of Physics

Delays due to gas diffusion in flash boiling nucleation

International Nuclear Information System (INIS)

Hanbury, W.T.; McCartney, W.S.

1976-01-01

A theoretical model to account for the time delay between decompression and nucleation in flash boiling is presented and analyzed. It shows that gas diffusion can be responsible for delayed nucleation when the critical radius for nucleation and the suspended particle size are of the same order of magnitude

Homogeneous nucleation in 4He: A corresponding-states analysis

International Nuclear Information System (INIS)

Sinha, D.N.; Semura, J.S.; Brodie, L.C.

1982-01-01

We report homogeneous-nucleation-temperature measurements in liquid 4 He over a bath-temperature range 2.31 4 He, in a region far from the critical point. A simple empirical form is presented for estimating the homogeneous nucleation temperatures for any liquid with a spherically symmetric interatomic potential. The 4 He data are compared with nucleation data for Ar, Kr, Xe, and H; theoretical predictions for 3 He are given in terms of reduced quantities. It is shown that the nucleation data for both quantum and classical liquids obey a quantum law of corresponding states (QCS). On the basis of this QCS analysis, predictions of homogeneous nucleation temperatures are made for hydrogen isotopes such as HD, DT, HT, and T 2

A variational approach to nucleation simulation.

Science.gov (United States)

Piaggi, Pablo M; Valsson, Omar; Parrinello, Michele

2016-12-22

We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular dynamics simulations. Therefore we use a recently developed enhanced sampling method [Valsson and Parrinello, Phys. Rev. Lett.113, 090601 (2014)] based on the variational determination of a bias potential. We differ from previous applications of this method in that the bias is constructed on the basis of the physical model provided by the classical theory of nucleation. We examine the technical problems associated with this approach. Our results are very satisfactory and will pave the way for calculating the nucleation rates in many systems.

The Effect of Spatial Heterogeneities on Nucleation Kinetics in Amorphous Aluminum Alloys

Science.gov (United States)

Shen, Ye

The mechanical property of the Al based metallic glass could be enhanced significantly by introducing the high number density of Al-fcc nanocrystals (1021 ˜1023 m-3) to the amorphous matrix through annealing treatments, which motivates the study of the nucleation kinetics for the microstructure control. With the presence of a high number density (1025 m-3) of aluminum-like medium range order (MRO), the Al-Y-Fe metallic glass is considered to be spatially heterogeneous. Combining the classical nucleation theory with the structural configuration, a MRO seeded nucleation model has been proposed and yields theoretical steady state nucleation rates consistent with the experimental results. In addition, this model satisfies all the thermodynamic and kinetic constraints to be reasonable. Compared with the Al-Y-Fe system, the primary crystallization onset temperature decreases significantly and the transient delay time (tau) is shorter in the Al-Y-Fe-Pb(In) systems because the insoluble Pb and In nanoparticles in the amorphous matrix served as extrinsic spatial heterogeneity to provide the nucleation sites for Al-fcc precipitation and the high-resolution transmission electron microscopy (HRTEM) images of the Pb-Al interface revealed a good wetting behavior between the Al and Pb nanoparticles. The study of the transient delay time (tau) could provide insight on the transport behavior during the nucleation and a more convenient approach to evaluate the delay time has been developed by measuring the Al-Y-Fe amorphous alloy glass transition temperature (Tg) shift with the increasing annealing time (tannealing) in FlashDSC. The break point in the Tg vs. log(tannealing) plot has been identified to correspond to the delay time by the TEM characterization. FlashDSC tests with different heating rates and different compositions (Al-Y-Fe-Pb and Zn-Mg-Ca-Yb amorphous alloys) further confirmed the break point and delay time relationship. The amorphous matrix composition and the

Structural Basis of Actin Filament Nucleation by Tandem W Domains

Science.gov (United States)

Chen, Xiaorui; Ni, Fengyun; Tian, Xia; Kondrashkina, Elena; Wang, Qinghua; Ma, Jianpeng

2013-01-01

SUMMARY Spontaneous nucleation of actin is very inefficient in cells. To overcome this barrier, cells have evolved a set of actin filament nucleators to promote rapid nucleation and polymerization in response to specific stimuli. However, the molecular mechanism of actin nucleation remains poorly understood. This is hindered largely by the fact that actin nucleus, once formed, rapidly polymerizes into filament, thus making it impossible to capture stable multisubunit actin nucleus. Here, we report an effective double-mutant strategy to stabilize actin nucleus by preventing further polymerization. Employing this strategy, we solved the crystal structure of AMPPNP-actin in complex with the first two tandem W domains of Cordon-bleu (Cobl), a potent actin filament nucleator. Further sequence comparison and functional studies suggest that the nucleation mechanism of Cobl is probably shared by the p53 cofactor JMY, but not Spire. Moreover, the double-mutant strategy opens the way for atomic mechanistic study of actin nucleation and polymerization. PMID:23727244

Characteristics of Methane Hydrate Formation in Artificial and Natural Media

Directory of Open Access Journals (Sweden)

Qingbai Wu

2013-03-01

Full Text Available The formation of methane hydrate in two significantly different media was investigated, using silica gel as an artificial medium and loess as a natural medium. The methane hydrate formation was observed through the depletion of water in the matrix, measured via the matrix potential and the relationship between the matrix potential and the water content was determined using established equations. The velocity of methane hydrate nucleation slowed over the course of the reaction, as it relied on water transfer to the hydrate surfaces with lower Gibbs free energy after nucleation. Significant differences in the reactions in the two types of media arose from differences in the water retention capacity and lithology of media due to the internal surface area and pore size distributions. Compared with methane hydrate formation in silica gel, the reaction in loess was much slower and formed far less methane hydrate. The results of this study will advance the understanding of how the properties of the environment affect the formation of gas hydrates in nature.

Nucleation of voids and other irradiation-produced defect aggregates

International Nuclear Information System (INIS)

Wiedersich, H.; Katz, J.L.

1976-01-01

The nucleation of defect clusters in crystalline solids from radiation-produced defects is different from the usual nucleation processes in one important aspect: the condensing defects, interstitial atoms and vacancies, can mutually annihilate and are thus similar to matter and antimatter. The nucleation process is described as the simultaneous reaction of vacancies and interstitials (and gas atoms if present) with embryos of all sizes. The reaction rates for acquisition of point defects (and gas atoms) are calculated from their respective jump frequencies and concentrations in the supersaturated system. The reaction rates for emission of point defects are derived from the free energies of the defect clusters in the thermodynamic equilibrium system, i.e., the system without excess point defects. This procedure differs from that used in conventional nucleation theory and permits the inclusion of the ''antimatter'' defect into the set of reaction-rate equations in a straightforward manner. The method is applied to steady-state nucleation, during irradiation, of both dislocation loops and voids in the absence and in the presence of immobile and mobile gas. The predictions of the nucleation theory are shown to be in qualitative agreement with experimental observations, e.g., void densities increase with increasing displacement rates; gases such as helium enhance void nucleation; at low displacement rates and at high temperatures the presence of gas is essential to void formation. For quantitative predictions, the theory must be extended to include the termination of nucleation

Recent developments in the kinetic theory of nucleation.

Science.gov (United States)

Ruckenstein, E; Djikaev, Y S

2005-12-30

A review of recent progress in the kinetics of nucleation is presented. In the conventional approach to the kinetic theory of nucleation, it is necessary to know the free energy of formation of a new-phase particle as a function of its independent variables at least for near-critical particles. Thus the conventional kinetic theory of nucleation is based on the thermodynamics of the process. The thermodynamics of nucleation can be examined by using various approaches, such as the capillarity approximation, density functional theory, and molecular simulation, each of which has its own advantages and drawbacks. Relatively recently a new approach to the kinetics of nucleation was proposed [Ruckenstein E, Nowakowski B. J Colloid Interface Sci 1990;137:583; Nowakowski B, Ruckenstein E. J Chem Phys 1991;94:8487], which is based on molecular interactions and does not employ the traditional thermodynamics, thus avoiding such a controversial notion as the surface tension of tiny clusters involved in nucleation. In the new kinetic theory the rate of emission of molecules by a new-phase particle is determined with the help of a mean first passage time analysis. This time is calculated by solving the single-molecule master equation for the probability distribution function of a surface layer molecule moving in a potential field created by the rest of the cluster. The new theory was developed for both liquid-to-solid and vapor-to-liquid phase transitions. In the former case the single-molecule master equation is the Fokker-Planck equation in the phase space which can be reduced to the Smoluchowski equation owing to the hierarchy of characteristic time scales. In the latter case, the starting master equation is a Fokker-Planck equation for the probability distribution function of a surface layer molecule with respect to both its energy and phase coordinates. Unlike the case of liquid-to-solid nucleation, this Fokker-Planck equation cannot be reduced to the Smoluchowski equation

The composition of nucleation and Aitken modes particles during coastal nucleation events: evidence for marine secondary organic contribution

Directory of Open Access Journals (Sweden)

P. Vaattovaara

2006-01-01

Full Text Available Newly-formed nanometer-sized particles have been observed at coastal and marine environments world wide. Organic species have so far not been detected in those newly-formed nucleation mode particles. In this study, we applied the ultrafine organic tandem differential mobility analyzer method to study the possible existence of an organic fraction in recently formed coastal nucleation mode particles (d<20 nm at the Mace Head research station. Furthermore, effects of those nucleation events on potential cloud condensation nuclei were studied. The coastal events were typical for the Mace Head region and they occurred at low tide conditions during efficient solar radiation and enhanced biological activity in spring 2002. Additionally, a pulse height analyzer ultrafine condensation particle counter technique was used to study the composition of newly-formed particles formed in low tide conditions during a lower biological activity in October 2002. The overall results of the ultrafine organic tandem differential mobility analyzer and the pulse height analyzer ultrafine condensation particle counter measurements indicate that those coastally/marinely formed nucleation mode particles include a remarkable fraction of secondary organic products, beside iodine oxides, which are likely to be responsible for the nucleation. During clean marine air mass conditions, the origin of those secondary organic oxidation compounds can be related to marine coast and open ocean biota and thus a major fraction of the organics may originate from biosynthetic production of alkenes such as isoprene and their oxidation driven by iodine radicals, hydroxyl radicals, acid catalysis, and ozone during efficient solar radiation. During modified marine conditions, also anthropogenic secondary organic compounds may contribute to the nucleation mode organic mass, in addition to biogenic secondary organic compounds. Thus, the ultrafine organic tandem differential mobility analyzer

Aerosol nucleation in an ultra-low ion density environment

DEFF Research Database (Denmark)

Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean M.

2012-01-01

Ion-induced nucleation has been studied in a deep underground ultra-low background radiation environment where the role of ions can be distinguished from alternative neutral aerosol nucleation mechanisms. Our results demonstrate that ions have a significant effect on the production of small...... sulfuric acid–water clusters over a range of sulfuric acid concentrations although neutral nucleation mechanisms remain evident at low ionization levels. The effect of ions is found both to enhance the nucleation rate of stable clusters and the initial growth rate. The effects of possible contaminations...

Nucleation in an ultra low ionisation environment

DEFF Research Database (Denmark)

Enghoff, Martin Andreas Bødker

in aerosol nucleation. By exposing a controlled volume of air to varying levels of ionising radiation, and with the minimum ionisation level vastly reduced compared to normal surface laboratory conditions, we have provided both a validation of earlier studies of ion-induced nucleation and extended...

Probing Individual Ice Nucleation Events with Environmental Scanning Electron Microscopy

Science.gov (United States)

Wang, Bingbing; China, Swarup; Knopf, Daniel; Gilles, Mary; Laskin, Alexander

2016-04-01

Heterogeneous ice nucleation is one of the processes of critical relevance to a range of topics in the fundamental and the applied science and technologies. Heterogeneous ice nucleation initiated by particles proceeds where microscopic properties of particle surfaces essentially control nucleation mechanisms. Ice nucleation in the atmosphere on particles governs the formation of ice and mixed phase clouds, which in turn influence the Earth's radiative budget and climate. Heterogeneous ice nucleation is still insufficiently understood and poses significant challenges in predictive understanding of climate change. We present a novel microscopy platform allowing observation of individual ice nucleation events at temperature range of 193-273 K and relative humidity relevant for ice formation in the atmospheric clouds. The approach utilizes a home built novel ice nucleation cell interfaced with Environmental Scanning Electron Microscope (IN-ESEM system). The IN-ESEM system is applied for direct observation of individual ice formation events, determining ice nucleation mechanisms, freezing temperatures, and relative humidity onsets. Reported microanalysis of the ice nucleating particles (INP) include elemental composition detected by the energy dispersed analysis of X-rays (EDX), and advanced speciation of the organic content in particles using scanning transmission x-ray microscopy with near edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS). The performance of the IN-ESEM system is validated through a set of experiments with kaolinite particles with known ice nucleation propensity. We demonstrate an application of the IN-ESEM system to identify and characterize individual INP within a complex mixture of ambient particles.

A review of phosphate mineral nucleation in biology and geobiology.

Science.gov (United States)

Omelon, Sidney; Ariganello, Marianne; Bonucci, Ermanno; Grynpas, Marc; Nanci, Antonio

2013-10-01

Relationships between geological phosphorite deposition and biological apatite nucleation have often been overlooked. However, similarities in biological apatite and phosphorite mineralogy suggest that their chemical formation mechanisms may be similar. This review serves to draw parallels between two newly described phosphorite mineralization processes, and proposes a similar novel mechanism for biologically controlled apatite mineral nucleation. This mechanism integrates polyphosphate biochemistry with crystal nucleation theory. Recently, the roles of polyphosphates in the nucleation of marine phosphorites were discovered. Marine bacteria and diatoms have been shown to store and concentrate inorganic phosphate (Pi) as amorphous, polyphosphate granules. Subsequent release of these P reserves into the local marine environment as Pi results in biologically induced phosphorite nucleation. Pi storage and release through an intracellular polyphosphate intermediate may also occur in mineralizing oral bacteria. Polyphosphates may be associated with biologically controlled apatite nucleation within vertebrates and invertebrates. Historically, biological apatite nucleation has been attributed to either a biochemical increase in local Pi concentration or matrix-mediated apatite nucleation control. This review proposes a mechanism that integrates both theories. Intracellular and extracellular amorphous granules, rich in both calcium and phosphorus, have been observed in apatite-biomineralizing vertebrates, protists, and atremate brachiopods. These granules may represent stores of calcium-polyphosphate. Not unlike phosphorite nucleation by bacteria and diatoms, polyphosphate depolymerization to Pi would be controlled by phosphatase activity. Enzymatic polyphosphate depolymerization would increase apatite saturation to the level required for mineral nucleation, while matrix proteins would simultaneously control the progression of new biological apatite formation.

Controlled nucleation and crystallization of fluorozirconate glasses

International Nuclear Information System (INIS)

Frischat, G.H.

1993-01-01

Pt, Se, and Ag, respectively, were used as nucleating agents for a ZrF 4 -BaF 4 -YF 3 -AlF 3 glass. Nucleation and crystal growth rates were determined as a function of experimental conditions. In all cases the bulk crystals mainly consist of β-BaZrF6, leading to a relatively coarse-grained microstructure. However, in the case of Ag used as a nucleating agent, the microstructure is bimodal with an additional fine-grained crystal phase. In the cases of Se and Ag the relative crystal fraction could be developed in a controlled way between 0 and 100%

Nucleation and growth of polycrystalline SiC

DEFF Research Database (Denmark)

Kaiser, M.; Schimmel, S.; Jokubavicius, V.

2014-01-01

The nucleation and bulk growth of polycrystalline SiC in a 2 inch PVT setup using isostatic and pyrolytic graphite as substrates was studied. Textured nucleation occurs under near-thermal equilibrium conditions at the initial growth stage with hexagonal platelet shaped crystallites of 4H, 6H and 15......R polytypes. It is found that pyrolytic graphite results in enhanced texturing of the nucleating gas species. Reducing the pressure leads to growth of the crystallites until a closed polycrystalline SiC layer containing voids with a rough surface is developed. Bulk growth was conducted at 35 mbar Ar...

Viscosity of interfacial water regulates ice nucleation

International Nuclear Information System (INIS)

Li, Kaiyong; Chen, Jing; Zhang, Qiaolan; Zhang, Yifan; Xu, Shun; Zhou, Xin; Cui, Dapeng; Wang, Jianjun; Song, Yanlin

2014-01-01

Ice formation on solid surfaces is an important phenomenon in many fields, such as cloud formation and atmospheric icing, and a key factor for applications in preventing freezing. Here, we report temperature-dependent nucleation rates of ice for hydrophilic and hydrophobic surfaces. The results show that hydrophilic surface presents a lower ice nucleation rate. We develop a strategy to extract the thermodynamic parameters, J 0 and Γ, in the context of classical nucleation theory. From the extracted J 0 and Γ, we reveal the dominant role played by interfacial water. The results provide an insight into freezing mechanism on solid surfaces

Experimental study of ion-induced nucleation by radon decay

International Nuclear Information System (INIS)

He, F.; Hopke, P.K.

1993-01-01

In the environment, the presence of ions from natural radioactivity may increase the rate of new particle formation through ion-induced nucleation. A thermal diffusion cloud chamber (TDCC) has been built to experimentally study ion-induced nucleation where the ions are produced by gaseous radioactive sources. The critical supersaturation values and nucleation rates for methanol, ethanol, 1-propanol, and 1-butanol vapors on ions produced within the volume of the chamber by alpha decay of 222 Rn have been measured quantitatively at various radioactivity concentrations and supersaturations. The presence of ion tracks and the effect of an external electric field were also investigated. The alpha tracks and ion-induced nucleation formed by 222 Rn decay become visible at the critical supersaturation that is below the value needed for homogeneous nucleation. At this supersaturation, the nucleation rates increase substantially with increasing 222 Rn at low activity concentrations, but attain limiting values at higher concentrations. The experimental results indicate that the ionization by radon decay will promote ion-cluster formation and lower the free energy barriers. The formation of visible droplets is strongly dependent on the supersaturation. This study also confirms that the external electric field has a significant effect on the observed rates of nucleation

Ion irradiation enhanced crystal nucleation in amorphous Si thin films

International Nuclear Information System (INIS)

Im, J.S.; Atwater, H.A.

1990-01-01

The nucleation kinetics of the amorphous-to-crystal transition of Si films under 1.5 MeV Xe + irradiation have been investigated by means of in situ transmission electron microscopy in the temperature range T=500--580 degree C. After an incubation period during which negligible nucleation occurs, a constant nucleation rate was observed in steady state, suggesting that homogeneous nucleation occurred. Compared to thermal crystallization, a significant enhancement in the nucleation rate during high-energy ion irradiation (five to seven orders of magnitude) was observed with an apparent activation energy of 3.9±0.75 eV

Grain refinement in a AlZnMgCuTi alloy by intensive melt shearing: A multi-step nucleation mechanism

Science.gov (United States)

Li, H. T.; Xia, M.; Jarry, Ph.; Scamans, G. M.; Fan, Z.

2011-01-01

Direct chill (DC) cast ingots of wrought Al alloys conventionally require the deliberate addition of a grain refiner to provide a uniform as-cast microstructure for the optimisation of both mechanical properties and processability. Grain refiner additions have been in widespread industrial use for more than half a century. Intensive melt shearing can provide grain refinement without the need for a specific grain refiner addition for both magnesium and aluminium based alloys. In this paper we present experimental evidence of the grain refinement in an experimental wrought aluminium alloy achieved by intensive melt shearing in the liquid state prior to solidification. The mechanisms for high shear induced grain refinement are correlated with the evolution of oxides in alloys. The oxides present in liquid aluminium alloys, normally as oxide films and clusters, can be effectively dispersed by intensive shearing and then provide effective sites for the heterogeneous nucleation of Al 3Ti phase. As a result, Al 3Ti particles with a narrower size distribution and hence improved efficiency as active nucleation sites of α-aluminium grains are responsible for the achieved significant grain refinement. This is termed a multi-step nucleation mechanism.

Binary nucleation kinetics. III. Transient behavior and time lags

International Nuclear Information System (INIS)

Wyslouzil, B.E.; Wilemski, G.

1996-01-01

Transient binary nucleation is more complex than unary because of the bidimensionality of the cluster formation kinetics. To investigate this problem qualitatively and quantitatively, we numerically solved the birth-death equations for vapor-to-liquid phase transitions. Our previous work showed that the customary saddle point and growth path approximations are almost always valid in steady state gas phase nucleation and only fail if the nucleated solution phase is significantly nonideal. Now, we demonstrate that in its early transient stages, binary nucleation rarely, if ever, occurs via the saddle point. This affects not only the number of particles forming but their composition and may be important for nucleation in glasses and other condensed mixtures for which time scales are very long. Before reaching the state of saddle point nucleation, most binary systems pass through a temporary stage in which the region of maximum flux extends over a ridge on the free energy surface. When ridge crossing nucleation is the steady state solution, it thus arises quite naturally as an arrested intermediate state that normally occurs in the development of saddle point nucleation. While the time dependent and steady state distributions of the fluxes and concentrations for each binary system are strongly influenced by the gas composition and species impingement rates, the ratio of nonequilibrium to equilibrium concentrations has a quasiuniversal behavior that is determined primarily by the thermodynamic properties of the liquid mixture. To test our quantitive results of the transient behavior, we directly calculated the time lag for the saddle point flux and compared it with the available analytical predictions. Although the analytical results overestimate the time lag by factors of 1.2-5, they should be adequate for purposes of planning experiments. We also found that the behavior of the saddle point time lag can indicate when steady state ridge crossing nucleation will occur

Nucleation at high pressure I: Theoretical considerations.

NARCIS (Netherlands)

Luijten, C.C.M.; Dongen, van M.E.H.

1999-01-01

A theoretical approach is presented that accounts for the influence of high pressure background gases on the vapor-to-liquid nucleation process. The key idea is to treat the carrier gas pressure as a perturbation parameter that modifies the properties of the nucleating substance. Two important

Theoretical Studies Of Nucleation Kinetics And Nanodroplet Microstructure

International Nuclear Information System (INIS)

Wilemski, Gerald

2009-01-01

The goals of this project were to (1) explore ways of bridging the gap between fundamental molecular nucleation theories and phenomenological approaches based on thermodynamic reasoning, (2) test and improve binary nucleation theory, and (3) provide the theoretical underpinning for a powerful new experimental technique, small angle neutron scattering (SANS) from nanodroplet aerosols, that can probe the compositional structure of nanodroplets. This report summarizes the accomplishments of this project in realizing these goals. Publications supported by this project fall into three general categories: (1) theoretical work on nucleation theory (2) experiments and modeling of nucleation and condensation in supersonic nozzles, and (3) experimental and theoretical work on nanodroplet structure and neutron scattering. These publications are listed and briefly summarized in this report.

NUCLEATION STUDIES OF GOLD ON CARBON ELECTRODES

Directory of Open Access Journals (Sweden)

S. SOBRI

2008-04-01

Full Text Available Interest has grown in developing non-toxic electrolytes for gold electrodeposition to replace the conventional cyanide-based bath for long term sustainability of gold electroplating. A solution containing thiosulphate and sulphite has been developed specially for microelectronics applications. However, at the end of the electrodeposition process, the spent electrolyte can contain a significant amount of gold in solution. This study has been initiated to investigate the feasibility of gold recovery from a spent thiosulphate-sulphite electrolyte. We have used flat-plate glassy carbon and graphite electrodes to study the mechanism of nucleation and crystal growth of gold deposition from the spent electrolyte. It was found that at the early stages of reduction process, the deposition of gold on glassy carbon exhibits an instantaneous nucleation of non-overlapping particles. At longer times, the particles begin to overlap and the deposition follows a classic progressive nucleation phenomenon. On the other hand, deposition of gold on graphite does not follow the classical nucleation phenomena.

Homogeneous nucleation of water in argon. Nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model.

Science.gov (United States)

Dumitrescu, Lucia R; Smeulders, David M J; Dam, Jacques A M; Gaastra-Nedea, Silvia V

2017-02-28

Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change their composition almost entirely during nucleation. Using the threshold method, direct nucleation rates are obtained. Our nucleation rates are found to be 1.08×10 27 cm -3 s -1 for TIP4P and 2.30×10 27 cm -3 s -1 for TIP4P/2005. The latter model prescribes a faster dynamics than the former, with a nucleation rate two times larger due to its higher electrostatic charges. The non-equilibrium water densities derived from simulations and state-of-art equilibrium parameters from Vega and de Miguel [J. Chem. Phys. 126, 154707 (2007)] are used for the classical nucleation theory (CNT) prediction. The CNT overestimates our results for both water models, where TIP4P/2005 shows largest discrepancy. Our results complement earlier data at high nucleation rates and supersaturations in the Hale plot [Phys. Rev. A 33, 4156 (1986)], and are consistent with MD data on the SPC/E and the TIP4P/2005 model.

Strategies to initiate and control the nucleation behavior of bimetallic nanoparticles.

Science.gov (United States)

Krishnan, Gopi; de Graaf, Sytze; Ten Brink, Gert H; Persson, Per O Å; Kooi, Bart J; Palasantzas, George

2017-06-22

In this work we report strategies to nucleate bimetallic nanoparticles (NPs) made by gas phase synthesis of elements showing difficulty in homogeneous nucleation. It is shown that the nucleation assisted problem of bimetallic NP synthesis can be solved via the following pathways: (i) selecting an element which can itself nucleate and act as a nucleation center for the synthesis of bimetallic NPs; (ii) introducing H 2 or CH 4 as an impurity/trace gas to initiate nucleation during the synthesis of bimetallic NPs. The latter can solve the problem if none of the elements in a bimetallic NP can initiate nucleation. We illustrate the abovementioned strategies for the case of Mg based bimetallic NPs, which are interesting as hydrogen storage materials and exhibit both nucleation and oxidation issues even under ultra-high vacuum conditions. In particular, it is shown that adding H 2 in small proportions favors the formation of a solid solution/alloy structure even in the case of immiscible Mg and Ti, where normally phase separation occurs during synthesis. In addition, we illustrate the possibility of improving the nucleation rate, and controlling the structure and size distribution of bimetallic NPs using H 2 /CH 4 as a reactive/nucleating gas. This is shown to be associated with the dimer bond energies of the various formed species and the vapor pressures of the metals, which are key factors for NP nucleation.

Exploration of peptides that fit into the thermally vibrating active site of cathepsin K protease by alternating artificial intelligence and molecular simulation

Science.gov (United States)

Nishiyama, Katsuhiko

2017-08-01

Eighteen tripeptides that fit into the thermally vibrating active site of cathepsin K were discovered by alternating artificial intelligence and molecular simulation. The 18 tripeptides fit the active site better than the cysteine protease inhibitor E64, and a better inhibitor of cathepsin K could be designed considering these tripeptides. Among the 18 tripeptides, Phe-Arg-Asp and Tyr-Arg-Asp fit the active site the best and their structural similarity should be considered in the design process. Interesting factors emerged from the structure of the decision tree, and its structural information will guide exploration of potential inhibitor molecules for proteases.

Protein Polymerization into Fibrils from the Viewpoint of Nucleation Theory.

Science.gov (United States)

Kashchiev, Dimo

2015-11-17

The assembly of various proteins into fibrillar aggregates is an important phenomenon with wide implications ranging from human disease to nanoscience. Using general kinetic results of nucleation theory, we analyze the polymerization of protein into linear or helical fibrils in the framework of the Oosawa-Kasai (OK) model. We show that while within the original OK model of linear polymerization the process does not involve nucleation, within a modified OK model it is nucleation-mediated. Expressions are derived for the size of the fibril nucleus, the work for fibril formation, the nucleation barrier, the equilibrium and stationary fibril size distributions, and the stationary fibril nucleation rate. Under otherwise equal conditions, this rate decreases considerably when the short (subnucleus) fibrils lose monomers much more frequently than the long (supernucleus) fibrils, a feature that should be born in mind when designing a strategy for stymying or stimulating fibril nucleation. The obtained dependence of the nucleation rate on the concentration of monomeric protein is convenient for experimental verification and for use in rate equations accounting for nucleation-mediated fibril formation. The analysis and the results obtained for linear fibrils are fully applicable to helical fibrils whose formation is describable by a simplified OK model. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Homogeneous SPC/E water nucleation in large molecular dynamics simulations.

Science.gov (United States)

Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu

2015-08-14

We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to ∼ 4 ⋅ 10(6) molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to ∼ 10(19) cm(-3) s(-1), helping close the gap between experimentally measured rates ∼ 10(17) cm(-3) s(-1). We are also able to precisely measure size distributions, sticking efficiencies, cluster temperatures, and cluster internal densities. We introduce a new functional form to implement the Yasuoka-Matsumoto nucleation rate measurement technique (threshold method). Comparison to nucleation models shows that classical nucleation theory over-estimates nucleation rates by a few orders of magnitude. The semi-phenomenological nucleation model does better, under-predicting rates by at worst a factor of 24. Unlike what has been observed in Lennard-Jones simulations, post-critical clusters have temperatures consistent with the run average temperature. Also, we observe that post-critical clusters have densities very slightly higher, ∼ 5%, than bulk liquid. We re-calibrate a Hale-type J vs. S scaling relation using both experimental and simulation data, finding remarkable consistency in over 30 orders of magnitude in the nucleation rate range and 180 K in the temperature range.

Nucleation and cavitation in parahydrogen

International Nuclear Information System (INIS)

Pi, Martí; Barranco, Manuel; Navarro, Jesús; Ancilotto, Francesco

2012-01-01

Highlights: ► We have constructed a density functional (DF) for parahydrogen between 14 and 32 K. ► The experimental equation of state and the surface tension are well reproduced. ► We have investigated nucleation and cavitations processes in the metastable phase. ► We have obtained the electron bubble explosion within the capillary model. - Abstract: We have used a density functional approach to investigate thermal homogeneous nucleation and cavitation in parahydrogen. The effect of electrons as seeds of heterogeneous cavitation in liquid parahydrogen is also discussed within the capillary model.

Experimental investigation of the role of ions in aerosol nucleation

DEFF Research Database (Denmark)

Enghoff, Martin Andreas Bødker

The role of ions in producing aerosols in Earth’s atmosphere is an area of very active research. Atmospheric and experimental observations have shown that the nucleation of aerosol particles can occur under conditions that cannot be explained by classical nucleation theory. Several ideas have been...... put forward to solve this nucleation problem, e.g. Ion-Induced Nucleation and Ternary Nucleation. Experimental investigations exploring the role of ions in particle production are scarce, and often at conditions far removed from those relevant for the lower part of the atmosphere. Recent experimental...... were grown using photochemically produced sulphuric acid and ionization levels were controlled with a Cs-137 gamma-source. An increase in nucleation was observed when the chamber was exposed to the radioactive source. The results were analyzed using a model based on the General Dynamic Equation...

Molecular dynamics simulation of bubble nucleation in explosive boiling

International Nuclear Information System (INIS)

Zou Yu; Chinese Academy of Sciences, Beijing; Huai Xiulan; Liang Shiqiang

2009-01-01

Molecular dynamics (MD) simulation is carried out for the bubble nucleation of liquid nitrogen in explosive boiling. The heat is transferred into the simulation system by rescaling the velocity of the molecules. The results indicate that the initial equilibrium temperature of liquid and molecular cluster size affect the energy conversion in the process of bubble nucleation. The potential energy of the system violently varies at the beginning of the bubble nucleation, and then varies around a fixed value. At the end of bubble nucleation, the potential energy of the system slowly increases. In the bubble nucleation of explosive boiling, the lower the initial equilibrium temperature, the larger the size of the molecular cluster, and the more the heat transferred into the system of the simulation cell, causing the increase potential energy in a larger range. (authors)

Ionic Strength-Controlled Mn (Hydr)oxide Nanoparticle Nucleation on Quartz: Effect of Aqueous Mn(OH)2.

Science.gov (United States)

Jung, Haesung; Jun, Young-Shin

2016-01-05

The early formation of manganese (hydr)oxide nanoparticles at mineral-water interfaces is crucial in understanding how Mn oxides control the fate and transport of heavy metals and the cycling of nutrients. Using atomic force microscopy, we investigated the heterogeneous nucleation and growth of Mn (hydr)oxide under varied ionic strengths (IS; 1-100 mM NaNO3). Experimental conditions (i.e., 0.1 mM Mn(2+) (aq) concentration and pH 10.1) were chosen to be relevant to Mn remediation sites. We found that IS controls Mn(OH)2 (aq) formation, and that the controlled Mn(OH)2 (aq) formation can affect the system's saturation and subsequent Mn(OH)2 (s) and further Mn3O4 (s) nanoparticle formation. In 100 mM IS system, nucleated Mn (hydr)oxide particles had more coverage on the quartz substrate than those in 1 mM and 10 mM IS systems. This high IS also resulted in low supersaturation ratio and thus favor heterogeneous nucleation, having better structural matching between nucleating Mn (hydr)oxides and quartz. The unique information obtained in this work improves our understanding of Mn (hydr)oxide formation in natural as well as engineered aqueous environments, such as groundwater contaminated by natural leachate and acid mine drainage remediation.

Effect of microstructure on the nucleation and initiation of adiabatic shear bands (ASBs) during impact

Energy Technology Data Exchange (ETDEWEB)

Boakye Yiadom, Solomon, E-mail: boakyeys@cc.umanitoba.ca; Khaliq Khan, Abdul, E-mail: abdulkhaliq.khan@umanitoba.ca; Bassim, Nabil, E-mail: nabil.bassim@ad.umanitoba.ca

2014-10-06

While instability may occur homogenously during plastic deformation, the formation of adiabatic shear band (ASBs) does not follow a homogenous instability during impact. Geometrical stress concentration sites and/or microstructural inhomogeneities result in the nucleation and initiation of shear strain localization. In this study, initial microstructural inhomogeneity was found to produce nucleation sites for the initiation of ASBs. It was observed that double misfit interfaces and boundary layers with random arrangement of atomic columns are formed around precipitated carbides and they increase the volume fraction of dislocation sources within the specimens. The AISI 4340 steel specimens which were tempered at the lowest temperature had smaller precipitated carbides with high aspect ratios densely distributed within the matrix and were easily susceptible to the formation of ASBs. As the tempering temperature increased, the relative sizes of the carbides increased with a corresponding reduction in their aspect ratios and their distribution density within the matrix and thus were more resistant to the formation of ASBs. In this study, it is demonstrated that the intersection of an activated dislocation source with the direction of maximum shear (regions of stress concentrations) within the specimens during impact, is a necessary condition for the point of intersection to act as a possible site for the nucleation of ASBs, depending on the rate of dislocation generation, local strain and strain rate. At a constant carbide volume fraction, the higher susceptibility of the tempered specimens to the initiation of ASBs is attributed to the volume fraction of the points of intersection between activated dislocation sources and direction of maximum shear during impact. Additionally, the smaller carbides, with their higher aspect ratios and distribution densities, accentuate the effect of strain gradients and the microstructural inhomogeneities associated with the tempered

Crosslinked Aspartic Acids as Helix-Nucleating Templates.

Science.gov (United States)

Zhao, Hui; Liu, Qi-Song; Geng, Hao; Tian, Yuan; Cheng, Min; Jiang, Yan-Hong; Xie, Ming-Sheng; Niu, Xiao-Gang; Jiang, Fan; Zhang, Ya-Ou; Lao, Yuan-Zhi; Wu, Yun-Dong; Xu, Nai-Han; Li, Zi-Gang

2016-09-19

Described is a facile helix-nucleating template based on a tethered aspartic acid at the N-terminus [terminal aspartic acid (TD)]. The nucleating effect of the template is subtly influenced by the substituent at the end of the side-chain-end tether as indicated by circular dichroism, nuclear magnetic resonance, and molecular dynamics simulations. Unlike most nucleating strategies, the N-terminal amine is preserved, thus enabling further modification. Peptidomimetic estrogen receptor modulators (PERMs) constructed using this strategy show improved therapeutic properties. The current strategy can be regarded as a good complement to existing helix-stabilizing methods. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Principle-based ethics and nurses' attitudes towards artificial feeding.

Science.gov (United States)

Day, L; Drought, T; Davis, A J

1995-02-01

Nurses often institute artificial feeding for patients who would otherwise starve. Recently, the courts in the United States have favoured withholding or withdrawing feedings from patients who currently refuse or previously gave some indication they would refuse artificial nutrition and hydration. This paper investigates under what circumstances nurses feel justified in withholding artificial nutrition and hydration. Structured interviews were conducted with 40 cancer care nurses from two sites, and 40 dementia care nurses from two sites. The interviews were based on two vignettes, one involving an alert patient with terminal cancer, the other a patient suffering end-stage Alzheimer's dementia, and were analysed for themes coinciding with principles of deontological ethics. Investigators found that autonomy, beneficence and non-maleficence most often guided nurses' decisions to withhold or implement artificial feeding.

The Influences of Artificial Aging Temperature and Time on Pitting Susceptibility of SiCp/ AA2024 MMCs

International Nuclear Information System (INIS)

Kim, S. K.; Jo, C. J.; Kwon, B. H.; Hwang, W. S.

2000-01-01

The effects of artificial aging temperature and time were investigated on the pitting behaviors of SiCp/ AA2024 composites through measuring the changes of open circuit potential, pitting potential, and repassivation potential in a 3.5 wt% NaCl solution. And, the influence of microstructure on the pitting susceptibility was studied by measurement of TEM images. AA2024 Al alloy and 15vol%SiCp/ AA2024 composites were fabricated by vacuum hot pressing and hot extrusion with an extrusion ratio of 25 : 1. They were solutionized at 495 .deg. C for 4 hours, and aged at 130, 150, 170, and 190 .deg. C for 1, 2, 4, 8, and 16 hours. In aerated 3.5% NaCl solutions, the open circuit potential and pitting potential of both AA2024 alloy and composites were similar each other, and pitting occurred immediately at immersed condition. The pitting potential was decreased with increasing aging temperature and time. Also, the repassivation potential of SiCp/ AA2024 composites was decreased as increasing aging temperature and time. It was concluded that formation and growth of S' and S phase by artificial aging promoted the pitting susceptibility of SiCp/ AA2024 composites because these phases, easily soluble by forming galvanic couples with substrate Al alloy, served as preferential sites for nucleation of pits

Free energy landscape and molecular pathways of gas hydrate nucleation

Energy Technology Data Exchange (ETDEWEB)

Bi, Yuanfei; Porras, Anna; Li, Tianshu, E-mail: tsli@gwu.edu [Department of Civil and Environmental Engineering, George Washington University, Washington DC 20052 (United States)

2016-12-07

Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p{sub B} histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p{sub B} histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

Free energy landscape and molecular pathways of gas hydrate nucleation

International Nuclear Information System (INIS)

Bi, Yuanfei; Porras, Anna; Li, Tianshu

2016-01-01

Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

Free energy landscape and molecular pathways of gas hydrate nucleation.

Science.gov (United States)

Bi, Yuanfei; Porras, Anna; Li, Tianshu

2016-12-07

Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

Quantitative studies of the nucleation of recrystallization in metals utilizing microscopy and X-ray diffraction

DEFF Research Database (Denmark)

Larsen, Axel Wright

is proven to be a good way of determining microstructural parameters, which are important when studying recrystallization dynamics. The nucleation of recrystallizationat triple junctions has been studied by 3 dimensional X-ray diffraction (3DXRD), allowing for the first time the deformed and recrystallized......This thesis covers three main results obtained during the project: A reliable method of performing serial sectioning on metal samples utilizing a Logitech polishing machine has been developed. Serial sectioning has been performed on metal samples in 1 µmsteps utilizing mechanical polishing...... microstructures to be compared at a given nucleation site in the bulk of a metal sample. From an experiment threenuclei were identified, their respective crystal orientations were determined, and growth curves were obtained for two of them....

The mechanisms of transitions from natural convection and nucleate boiling to nucleate boiling or film boiling caused by rapid depressurization in highly subcooled water

International Nuclear Information System (INIS)

Sakurai, Akira; Shiotsu, Masahiro; Hata, Koichi; Fukuda, Katsuya

1999-01-01

The mechanisms of transient boiling process including the transitions to nucleate boiling or film boiling from initial heat fluxes, q in , in natural convection and nucleate boiling regimes caused by exponentially decreasing system pressure with various decreasing periods, τ p on a horizontal cylinder in a pool of highly subcooled water were clarified. The transient boiling processes with different characteristics were divided into three groups for low and intermediate q in in natural convection regime, and for high q in in nucleate boiling regime. The transitions at maximum heat fluxes from low q in in natural convection regime to stable nucleate boiling regime occurred independently of the τ p values. The transitions from intermediate and high q in values in natural convection and nucleate boiling to stable film boiling occurred for short τ p values, although those to stable nucleate boiling occurred for tong τ p values. The CHF and corresponding surface superheat values at which the transition to film boiling occurred were considerably lower and higher than the steady-state values at the corresponding pressure during the depressurization respectively. It was suggested that the transitions to stable film boiling at transient critical heat fluxes from intermediate q in in natural convection and from high q in in nucleate boiling for short τ p occur due to explosive-like heterogeneous spontaneous nucleation (HSN). The photographs of typical vapor behavior due to the HSN during depressurization from natural convection regime for short τ p were shown. (author)

A marine biogenic source of atmospheric ice-nucleating particles

Energy Technology Data Exchange (ETDEWEB)

Wilson, T. W.; Ladino, L. A.; Alpert, Peter A.; Breckels, M. N.; Brooks, I. M.; Browse, J.; Burrows, Susannah M.; Carslaw, K. S.; Huffman, J. A.; Judd, C.; Kilthau, W. P.; Mason, R. H.; McFiggans, Gordon; Miller, L. A.; Najera, J.; Polishchuk, E. A.; Rae, S.; Schiller, C. L.; Si, M.; Vergara Temprado, J.; Whale, Thomas; Wong, J P S; Wurl, O.; Yakobi-Hancock, J. D.; Abbatt, JPD; Aller, Josephine Y.; Bertram, Allan K.; Knopf, Daniel A.; Murray, Benjamin J.

2015-09-09

The formation of ice in clouds is facilitated by the presence of airborne ice nucleating particles1,2. Sea spray is one of the major global sources of atmospheric particles, but it is unclear to what extent these particles are capable of nucleating ice3–11. Here we show that material in the sea surface microlayer, which is enriched in surface active organic material representative of that found in sub-micron sea- spray aerosol12–21, nucleates ice under conditions that occur in mixed-phase clouds and high-altitude ice clouds. The ice active material is likely biogenic and is less than ~0.2 ?m in size. We also show that organic material (exudate) released by a common marine diatom nucleates ice when separated from cells and propose that organic material associated with phytoplankton cell exudates are a candidate for the observed ice nucleating ability of the microlayer samples. By combining our measurements with global model simulations of marine organic aerosol, we show that ice nucleating particles of marine origin are dominant in remote marine environments, such as the Southern Ocean, the North Pacific and the North Atlantic.

Fatigue crack nucleation of type 316LN stainless steel

International Nuclear Information System (INIS)

Kim, Dae Whan; Kim, Woo Gon; Hong, Jun Hwa; Ryu, Woo Seog

2000-01-01

Low Cycle Fatigue (LCF) life decreases drastically with increasing temperature but increases with the addition of nitrogen at room and high temperatures. The effect of nitrogen on LCF life may be related to crack nucleation at high temperatures in austenitic stainless steel because the fraction of crack nucleation in LCF life is about 40%. The influence of nitrogen on the crack nucleation of LCF in type 316LN stainless steel is investigated by observations of crack population and crack depth after testing at 40% of fatigue life. Nitrogen increases the number of cycles to nucleate microcracks of 100 μm but decreases the crack population

Nucleation procedures in the restoration of riverine areas of the Mixed Rain Forest, Southern Brazil

Directory of Open Access Journals (Sweden)

Ademir Reis

2009-12-01

Full Text Available Due to its significant importance in the history of the occupation of Southern Brazil, the mixed rain forest, particularly in the Planalto Norte Catarinense, was subjected to intense exploitation as well as the replacement of its original vegetation cover by pasture and agricultural areas. Nowadays, it suffers another great impact which is the homogeneous reforestation with species of Pinus. The present situation is characterized by the need for restoration of the local landscape’s connectivity, which means restoring degraded riverine areas by repairing the connectivity between original fragments and areas to be restored. This study investigated the role of the seed bank and seed rain of preserved adjacent riverine fragments and the efficiency of nucleation procedures in the restoration of degraded riverine areas in Pinus taeda L. producing farms. Samples of the seed bank and seed rain of preserved fragments were collected and techniques of soil transposition and artificial perches were applied in the open degraded areas. The riverine areas demonstrated the potential to initiate the secondary succession process, allowing the formation of initial succession stages. The use of nucleation procedures showed the possibility of accelerating the succession process and indicated the importance of establishing linkage points between open areas and conserved remnants.

Nucleation and creep of vortices in superfluids and clean superconductors

International Nuclear Information System (INIS)

Sonin, E.B.

1995-01-01

The paper is devoted to vortex nucleation in uniform and nonuniform superflows in superfluids, and to creep of vortices trapped by twin boundaries and columnar defects in isotropic and anisotropic superconductors. The shape of a nuclated loop which yields the maximal nucleation rate is defined from the balance of the Lorentz and the line-tension forces. If the trapping energy is small, the contact angle at which the vortex line meets the plane of the twin-boundary or the axis of the columnar defect is also small. This may strongly enhance the rate of thermal nucleation and especially of quantum nucleation. In the analysis of quantum tunnelling it was assumed that the vortex has no mass and its motion is governed by the Magnus force, as expected for superfluids and very pure superconductors. Quantum nucleation rate from the traditional quasiclassical theory of macroscopic tunnelling is compared with the nucleation rate derived from the Gross-Pitaevskii theory of a weakly nonideal Bose-gas. (orig.)

Vapor nucleation paths in lyophobic nanopores.

Science.gov (United States)

Tinti, Antonio; Giacomello, Alberto; Casciola, Carlo Massimo

2018-04-19

In recent years, technologies revolving around the use of lyophobic nanopores gained considerable attention in both fundamental and applied research. Owing to the enormous internal surface area, heterogeneous lyophobic systems (HLS), constituted by a nanoporous lyophobic material and a non-wetting liquid, are promising candidates for the efficient storage or dissipation of mechanical energy. These diverse applications both rely on the forced intrusion and extrusion of the non-wetting liquid inside the pores; the behavior of HLS for storage or dissipation depends on the hysteresis between these two processes, which, in turn, are determined by the microscopic details of the system. It is easy to understand that molecular simulations provide an unmatched tool for understanding phenomena at these scales. In this contribution we use advanced atomistic simulation techniques in order to study the nucleation of vapor bubbles inside lyophobic mesopores. The use of the string method in collective variables allows us to overcome the computational challenges associated with the activated nature of the phenomenon, rendering a detailed picture of nucleation in confinement. In particular, this rare event method efficiently searches for the most probable nucleation path(s) in otherwise intractable, high-dimensional free-energy landscapes. Results reveal the existence of several independent nucleation paths associated with different free-energy barriers. In particular, there is a family of asymmetric transition paths, in which a bubble forms at one of the walls; the other family involves the formation of axisymmetric bubbles with an annulus shape. The computed free-energy profiles reveal that the asymmetric path is significantly more probable than the symmetric one, while the exact position where the asymmetric bubble forms is less relevant for the free energetics of the process. A comparison of the atomistic results with continuum models is also presented, showing how, for simple

Airborne measurements of nucleation mode particles I: coastal nucleation and growth rates

Directory of Open Access Journals (Sweden)

C. D. O'Dowd

2007-01-01

Full Text Available A light aircraft was equipped with a bank of Condensation Particle Counters (CPCs (50% cut from 3–5.4–9.6 nm and a nano-Scanning Mobility Particle Sizer (nSMPS and deployed along the west coast of Ireland, in the vicinity of Mace Head. The objective of the exercise was to provide high resolution micro-physical measurements of the coastal nucleation mode in order to map the spatial extent of new particle production regions and to evaluate the evolution, and associated growth rates of the coastal nucleation-mode aerosol plume. Results indicate that coastal new particle production is occurring over most areas along the land-sea interface with peak concentrations at the coastal plume-head in excess of 106 cm−3. Pseudo-Lagrangian studies of the coastal plume evolution illustrated significant growth of new particles to sizes in excess of 8 nm approximately 10 km downwind of the source region. Close to the plume head (<1 km growth rates can be as high as 123–171 nm h−1, decreasing gradually to 53–72 nm h−1 at 3 km. Further along the plume, at distances up to 10 km, the growth rates are calculated to be 17–32 nm h−1. Growth rates of this magnitude suggest that after a couple of hours, coastal nucleation mode particles can reach significant sizes where they can contribution to the regional aerosol loading.

Ice nucleation efficiency of AgI: review and new insights

Directory of Open Access Journals (Sweden)

C. Marcolli

2016-07-01

Full Text Available AgI is one of the best-investigated ice-nucleating substances. It has relevance for the atmosphere since it is used for glaciogenic cloud seeding. Theoretical and experimental studies over the last 60 years provide a complex picture of silver iodide as an ice-nucleating agent with conflicting and inconsistent results. This review compares experimental ice nucleation studies in order to analyze the factors that influence the ice nucleation ability of AgI. The following picture emerges from this analysis: the ice nucleation ability of AgI seems to be enhanced when the AgI particle is on the surface of a droplet, which is indeed the position that a particle takes when it can freely move in a droplet. The ice nucleation by particles with surfaces exposed to air depends on water adsorption. AgI surfaces seem to be most efficient at nucleating ice when they are exposed to relative humidity at or even above water saturation. For AgI particles that are completely immersed in water, the freezing temperature increases with increasing AgI surface area. Higher threshold freezing temperatures seem to correlate with improved lattice matches as can be seen for AgI–AgCl solid solutions and 3AgI·NH4I·6H2O, which have slightly better lattice matches with ice than AgI and also higher threshold freezing temperatures. However, the effect of a good lattice match is annihilated when the surfaces have charges. Also, the ice nucleation ability seems to decrease during dissolution of AgI particles. This introduces an additional history and time dependence for ice nucleation in cloud chambers with short residence times.

Foraging habitat quality constrains effectiveness of artificial nest-site provisioning in reversing population declines in a colonial cavity nester.

Directory of Open Access Journals (Sweden)

Inês Catry

Full Text Available Among birds, breeding numbers are mainly limited by two resources of major importance: food supply and nest-site availability. Here, we investigated how differences in land-use and nest-site availability affected the foraging behaviour, breeding success and population trends of the colonial cavity-dependent lesser kestrel Falco naumanni inhabiting two protected areas. Both areas were provided with artificial nests to increase nest-site availability. The first area is a pseudo-steppe characterized by traditional extensive cereal cultivation, whereas the second area is a previous agricultural zone now abandoned or replaced by forested areas. In both areas, lesser kestrels selected extensive agricultural habitats, such as fallows and cereal fields, and avoided scrubland and forests. In the second area, tracked birds from one colony travelled significantly farther distances (6.2 km ± 1.7 vs. 1.8 km ± 0.4 and 1.9 km ± 0.6 and had significant larger foraging-ranges (144 km(2 vs. 18.8 and 14.8 km(2 when compared to the birds of two colonies in the extensive agricultural area. Longer foraging trips were reflected in lower chick feeding rates, lower fledging success and reduced chick fitness. Availability and occupation of artificial nests was high in both areas but population followed opposite trends, with a positive increment recorded exclusively in the first area with a large proportion of agricultural areas. Progressive habitat loss around the studied colony in the second area (suitable habitat decreased from 32% in 1990 to only 7% in 2002 is likely the main driver of the recorded population decline and suggests that the effectiveness of bird species conservation based on nest-site provisioning is highly constrained by habitat quality in the surrounding areas. Therefore, the conservation of cavity-dependent species may be enhanced firstly by finding the best areas of remaining habitat and secondly by increasing the carrying capacity of high

Nucleation of superconductivity under rapid cycling of an electric field

International Nuclear Information System (INIS)

Bandyopadhyay, Malay

2008-01-01

The effect of an externally applied high-frequency oscillating electric field on the critical nucleation field of superconductivity in the bulk as well as at the surface of a superconductor is investigated in detail in this work. Starting from the linearized time-dependent Ginzburg-Landau (TDLG) theory, and using the variational principle, I have shown the analogy between a quantum harmonic oscillator with that of the nucleation of superconductivity in the bulk and a quantum double oscillator with that of the nucleation at the surface of a finite sample. The effective Hamiltonian approach of Cook et al (1985 Phys. Rev. A 31 564) is employed to incorporate the effect of an externally applied highly oscillating electric field. The critical nucleation field ratio is also calculated from the ground state energy method. The results obtained from these two approximate theories agree very well with the exact results for the case of an undriven system, which establishes the validity of these two approximate theories. It is observed that the highly oscillating electric field actually increases the bulk critical nucleation field (H c 2 ) as well as the surface critical nucleation field (H c 3 ) of superconductivity as compared to the case of absent electric field (ε 0 = 0). But the externally applied rapidly oscillating electric field accentuates the surface critical nucleation field more than the bulk critical nucleation field, i.e. the increase of H c 3 is 1.6592 times larger than that of H c 2

Nucleation of super-critical carbon dioxide in a venturi nozzle

Energy Technology Data Exchange (ETDEWEB)

Jarrahbashi, D., E-mail: dorrin.jarrahbashi@me.gatech.edu; Pidaparti, S.R.; Ranjan, D.

2016-12-15

Highlights: • Nucleation of S-CO{sub 2} in a nozzle near critical point has been computationally studied. • The nucleation behavior is very sensitive to the inlet pressure and temperature. • After nucleation, high liquid-content two-phase mixture near wall travels downstream. - Abstract: Pressure reduction at the entrance of the compressor in supercritical CO{sub 2} Brayton cycles may cause nucleation and create a mixture of vapor and liquid droplets due to operation near the saturation conditions. Transient behavior of the flow after nucleation may cause serious issues in operation of the cycle and degrade the materials used in the design. The nucleation behavior of supercritical carbon-dioxide inside a venturi nozzle near the critical point is computationally studied. A transient compressible 3D Navier–Stokes solver, coupled with continuity, and energy equations have been implemented. In order to expedite the simulations, Fluid property Interpolation Tables (FIT) based on a piecewise biquintic spline interpolation of Helmholtz energy have been integrated with OpenFOAM to model S-CO{sub 2} properties. The mass fraction of vapor created in the venturi nozzle has been calculated using homogeneous equilibrium model (HEM). Nucleation behavior has been shown to be very sensitive to the inlet pressure, inlet temperature, and flow rate. The flow conditions that led to nucleation were identified. Nucleation was observed in the throat area and divergent section of the nozzle for mass flow rates from 0.050 kg/s to 0.065 kg/s, inlet pressure from 7.8 to 7.4 MPa for fixed exit pressure equal to 7.28 MPa. The inception of high-vapor-content nucleation was first observed in the throat area away from the side walls that remained confined to the throat region in later times. However, near the walls, a high liquid-content two-phase region was detected, first in the divergent section. At later times, the two-phase region was convected downstream toward the nozzle exit

Controlling the crystal polymorph by exploiting the time dependence of nucleation rates.

Science.gov (United States)

Little, Laurie J; King, Alice A K; Sear, Richard P; Keddie, Joseph L

2017-10-14

Most substances can crystallise into two or more different crystal lattices called polymorphs. Despite this, there are no systems in which we can quantitatively predict the probability of one competing polymorph forming instead of the other. We address this problem using large scale (hundreds of events) studies of the competing nucleation of the alpha and gamma polymorphs of glycine. In situ Raman spectroscopy is used to identify the polymorph of each crystal. We find that the nucleation kinetics of the two polymorphs is very different. Nucleation of the alpha polymorph starts off slowly but accelerates, while nucleation of the gamma polymorph starts off fast but then slows. We exploit this difference to increase the purity with which we obtain the gamma polymorph by a factor of ten. The statistics of the nucleation of crystals is analogous to that of human mortality, and using a result from medical statistics, we show that conventional nucleation data can say nothing about what, if any, are the correlations between competing nucleation processes. Thus we can show that with data of our form it is impossible to disentangle the competing nucleation processes. We also find that the growth rate and the shape of a crystal depend on it when nucleated. This is new evidence that nucleation and growth are linked.

Nucleation and growth of voids by radiation. Pt. 2

International Nuclear Information System (INIS)

Mayer, R.M.; Brown, L.M.

1980-01-01

The original model of Brown, Kelly and Mayer [1] for the nucleation of interstitial loops has been extended to take into account the following: (i) mobility of the vacancies, (ii) generation and migration of gas atoms during irradiation, (iii) nucleation and growth of voids, and (iv) vacancy emission from voids and clusters at high temperatures. Using chemicalrate equations, additional expressions are formulated for the nucleation and growth of vacancy loops and voids. (orig.)

Heterogeneous nucleation of ice in the atmosphere

International Nuclear Information System (INIS)

Nicosia, A; Piazza, M; Santachiara, G; Belosi, F

2017-01-01

The occurrence of ice-nucleating aerosols in the atmosphere has a profound impact on the properties of clouds, and in turn, influences our understanding on weather and climate. Research on this topic has grown constantly over the last decades, driven by advances in online and offline instruments capable of measuring the characteristics of these cloud-modifying aerosol particles. This article presents different aspects to the understanding of how aerosol particles can trigger the nucleation of ice in clouds. In addition, we present some experimental results obtained with the Dynamic Filter Processing Chamber, an off-line instrument that has been applied extensively in the last years and that circumvents some of the problems related to the measurement of Ice Nucleating Particles properties. (paper)

Kinetics of heterogeneous nucleation of gas-atomized Sn-5 mass%Pb droplets

International Nuclear Information System (INIS)

Li Shu; Wu Ping; Zhou Wei; Ando, Teiichi

2008-01-01

A method for predicting the nucleation kinetics of gas-atomized droplets has been developed by combining models predicting the nucleation temperature of cooling droplets with a model simulating the droplet motion and cooling in gas atomization. Application to a Sn-5 mass%Pb alloy has yielded continuous-cooling transformation (CCT) diagrams for the heterogeneous droplet nucleation in helium gas atomization. Both internal nucleation caused by a catalyst present in the melt and surface nucleation caused by oxidation are considered. Droplets atomized at a high atomizing gas velocity get around surface oxidation and nucleate internally at high supercoolings. Low atomization gas velocities promote oxidation-catalyzed nucleation which leads to lower supercoolings. The developed method enables improved screening of atomized powders for critical applications where stringent control of powder microstructure is required

Understanding nanoparticle-mediated nucleation pathways of anisotropic nanoparticles

Science.gov (United States)

Laramy, Christine R.; Fong, Lam-Kiu; Jones, Matthew R.; O'Brien, Matthew N.; Schatz, George C.; Mirkin, Chad A.

2017-09-01

Several seed-mediated syntheses of low symmetry anisotropic nanoparticles yield broad product distributions with multiple defect structures. This observation challenges the role of the nanoparticle precursor as a seed for certain syntheses and suggests the possibility of alternate nucleation pathways. Herein, we report a method to probe the role of the nanoparticle precursor in anisotropic nanoparticle nucleation with compositional and structural 'labels' to track their fate. We use the synthesis of gold triangular nanoprisms (Au TPs) as a model system. We propose a mechanism in which, rather than acting as a template, the nanoparticle precursor catalyzes homogenous nucleation of Au TPs.

Artificial Enzymes, "Chemzymes"

DEFF Research Database (Denmark)

Bjerre, Jeannette; Rousseau, Cyril Andre Raphaël; Pedersen, Lavinia Georgeta M

2008-01-01

Enzymes have fascinated scientists since their discovery and, over some decades, one aim in organic chemistry has been the creation of molecules that mimic the active sites of enzymes and promote catalysis. Nevertheless, even today, there are relatively few examples of enzyme models that successf......Enzymes have fascinated scientists since their discovery and, over some decades, one aim in organic chemistry has been the creation of molecules that mimic the active sites of enzymes and promote catalysis. Nevertheless, even today, there are relatively few examples of enzyme models...... that successfully perform Michaelis-Menten catalysis under enzymatic conditions (i.e., aqueous medium, neutral pH, ambient temperature) and for those that do, very high rate accelerations are seldomly seen. This review will provide a brief summary of the recent developments in artificial enzymes, so called...... "Chemzymes", based on cyclodextrins and other molecules. Only the chemzymes that have shown enzyme-like activity that has been quantified by different methods will be mentioned. This review will summarize the work done in the field of artificial glycosidases, oxidases, epoxidases, and esterases, as well...

Structural analysis of the role of TPX2 in branching microtubule nucleation

Science.gov (United States)

Thawani, Akanksha

2017-01-01

The mitotic spindle consists of microtubules (MTs), which are nucleated by the γ-tubulin ring complex (γ-TuRC). How the γ-TuRC gets activated at the right time and location remains elusive. Recently, it was uncovered that MTs nucleate from preexisting MTs within the mitotic spindle, which requires the protein TPX2, but the mechanism basis for TPX2 action is unknown. Here, we investigate the role of TPX2 in branching MT nucleation. We establish the domain organization of Xenopus laevis TPX2 and define the minimal TPX2 version that stimulates branching MT nucleation, which we find is unrelated to TPX2’s ability to nucleate MTs in vitro. Several domains of TPX2 contribute to its MT-binding and bundling activities. However, the property necessary for TPX2 to induce branching MT nucleation is contained within newly identified γ-TuRC nucleation activator motifs. Separation-of-function mutations leave the binding of TPX2 to γ-TuRC intact, whereas branching MT nucleation is abolished, suggesting that TPX2 may activate γ-TuRC to promote branching MT nucleation. PMID:28264915

Nucleation of voids in materials supersaturated with mobile interstitials, vacancies and divacancies

International Nuclear Information System (INIS)

Wolfer, W.G.; Si-Ahmed, A.

1982-01-01

In previous void nucleation theories, the void size has been allowed to change only by one atomic volume through vacancy or interstitial absorption or through vacancy emission. To include the absorption of divacancies, the classical nucleation theory is here extended to include double-step transitions between clusters. The new nucleation theory is applied to study the effect of divacancies on void formation. It is found that the steady-state void nucleation rate is enhanced by several orders of magnitude as compared to results with previous void nucleation theories. However, to obtain void nucleation rates comparable to measured ones, the effect of impurities, segregation and insoluble gases must still be invoked. (author)

Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical Nucleation.

Science.gov (United States)

Zahn, Dirk

2015-07-20

Recent observations of prenucleation species and multi-stage crystal nucleation processes challenge the long-established view on the thermodynamics of crystal formation. Here, we review and generalize extensions to classical nucleation theory. Going beyond the conventional implementation as has been used for more than a century now, nucleation inhibitors, precursor clusters and non-classical nucleation processes are rationalized as well by analogous concepts based on competing interface and bulk energy terms. This is illustrated by recent examples of species formed prior to/instead of crystal nucleation and multi-step nucleation processes. Much of the discussed insights were obtained from molecular simulation using advanced sampling techniques, briefly summarized herein for both nucleation-controlled and diffusion-controlled aggregate formation. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution Non-Commercial NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.

ON THE PRECISION OF THE NUCLEATOR

Directory of Open Access Journals (Sweden)

Javier González-Villa

2017-06-01

Full Text Available The nucleator is a design unbiased method of local stereology for estimating the volume of a bounded object. The only information required lies in the intersection of the object with an isotropic random ray emanating from a fixed point (called the pivotal point associated with the object. For instance, the volume of a neuron can be estimated from a random ray emanating from its nucleolus. The nucleator is extensively used in biosciences because it is efficient and easy to apply. The estimator variance can be reduced by increasing the number of rays. In an earlier paper a systematic sampling design was proposed, and theoretical variance predictors were derived, for the corresponding volume estimator. Being the only variance predictors hitherto available for the nucleator, our basic goal was to check their statistical performance by means of Monte Carlo resampling on computer reconstructions of real objects. As a plus, the empirical distribution of the volume estimator revealed statistical properties of practical relevance.

Mediating conducting polymer growth within hydrogels by controlling nucleation

Directory of Open Access Journals (Sweden)

A. J. Patton

2015-01-01

Full Text Available This study examines the efficacy of primary and secondary nucleation for electrochemical polymerisation of conductive polymers within poly(vinyl alcohol methacrylate hydrogels. The two methods of nucleation investigated were a primary heterogeneous mechanism via introduction of conductive bulk metallic glass (Mg64Zn30Ca5Na1 particles and a secondary mechanism via introduction of “pre-polymerised” conducting polymer within the hydrogel (PEDOT:PSS. Evidence of nucleation was not seen in the bulk metallic glass loaded gels, however, the PEDOT:PSS loaded gels produced charge storage capacities over 15 mC/cm2 when sufficient polymer was loaded. These studies support the hypothesis that secondary nucleation is an efficient approach to producing stand-alone conducting hydrogels.

Bubble nucleation in an explosive micro-bubble actuator

NARCIS (Netherlands)

van den Broek, D.M.; Elwenspoek, Michael Curt

2008-01-01

Explosive evaporation occurs when a thin layer of liquid reaches a temperature close to the critical temperature in a very short time. At these temperatures spontaneous nucleation takes place. The nucleated bubbles instantly coalesce forming a vapour film followed by rapid growth due to the pressure

Water nucleation : wave tube experiments and theoretical considerations

NARCIS (Netherlands)

Holten, V.

2009-01-01

This work is an experimental and theoretical study of the condensation of water. Condensation consists of nucleation – the formation of droplets – and the subsequent growth of those droplets. In our expansion tube setup, these processes are separated in time with the nucleation pulse principle, in

Heterogeneous Formation of Polar Stratospheric Clouds- Part 1: Nucleation of Nitric Acid Trihydrate (NAT)

Science.gov (United States)

Hoyle, C. R.; Engel, I.; Luo, B. P.; Pitts, M. C.; Poole, L. R.; Grooss, J.-U.; Peter, T.

2013-01-01

Satellite-based observations during the Arctic winter of 2009/2010 provide firm evidence that, in contrast to the current understanding, the nucleation of nitric acid trihydrate (NAT) in the polar stratosphere does not only occur on preexisting ice particles. In order to explain the NAT clouds observed over the Arctic in mid-December 2009, a heterogeneous nucleation mechanism is required, occurring via immersion freezing on the surface of solid particles, likely of meteoritic origin. For the first time, a detailed microphysical modelling of this NAT formation pathway has been carried out. Heterogeneous NAT formation was calculated along more than sixty thousand trajectories, ending at Cloud Aerosol Lidar with Orthogonal Polarization (CALIOP) observation points. Comparing the optical properties of the modelled NAT with these observations enabled a thorough validation of a newly developed NAT nucleation parameterisation, which has been built into the Zurich Optical and Microphysical box Model (ZOMM). The parameterisation is based on active site theory, is simple to implement in models and provides substantial advantages over previous approaches which involved a constant rate of NAT nucleation in a given volume of air. It is shown that the new method is capable of reproducing observed polar stratospheric clouds (PSCs) very well, despite the varied conditions experienced by air parcels travelling along the different trajectories. In a companion paper, ZOMM is applied to a later period of the winter, when ice PSCs are also present, and it is shown that the observed PSCs are also represented extremely well under these conditions.

Modelling the effect of acoustic waves on nucleation

Energy Technology Data Exchange (ETDEWEB)

Haqshenas, S. R., E-mail: seyyed.haqshenas.12@ucl.ac.uk; Saffari, N., E-mail: n.saffari@ucl.ac.uk [Department of Mechanical Engineering, University College London, Gower Street, London WC1E 7JE (United Kingdom); Ford, I. J., E-mail: i.ford@ucl.ac.uk [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

2016-07-14

A phase transformation in a metastable phase can be affected when it is subjected to a high intensity ultrasound wave. In this study we determined the effect of oscillation in pressure and temperature on a phase transformation using the Gibbs droplet model in a generic format. The developed model is valid for both equilibrium and non-equilibrium clusters formed through a stationary or non-stationary process. We validated the underlying model by comparing the predicted kinetics of water droplet formation from the gas phase against experimental data in the absence of ultrasound. Our results demonstrated better agreement with experimental data in comparison with classical nucleation theory. Then, we determined the thermodynamics and kinetics of nucleation and the early stage of growth of clusters in an isothermal sonocrystallisation process. This new contribution shows that the effect of pressure on the kinetics of nucleation is cluster size-dependent in contrast to classical nucleation theory.

Cumulative distribution functions associated with bubble-nucleation processes in cavitation

KAUST Repository

Watanabe, Hiroshi

2010-11-15

Bubble-nucleation processes of a Lennard-Jones liquid are studied by molecular dynamics simulations. Waiting time, which is the lifetime of a superheated liquid, is determined for several system sizes, and the apparent finite-size effect of the nucleation rate is observed. From the cumulative distribution function of the nucleation events, the bubble-nucleation process is found to be not a simple Poisson process but a Poisson process with an additional relaxation time. The parameters of the exponential distribution associated with the process are determined by taking the relaxation time into account, and the apparent finite-size effect is removed. These results imply that the use of the arithmetic mean of the waiting time until a bubble grows to the critical size leads to an incorrect estimation of the nucleation rate. © 2010 The American Physical Society.

Stochastic simulation of nucleation in binary alloys

Science.gov (United States)

L’vov, P. E.; Svetukhin, V. V.

2018-06-01

In this study, we simulate nucleation in binary alloys with respect to thermal fluctuations of the alloy composition. The simulation is based on the Cahn–Hilliard–Cook equation. We have considered the influence of some fluctuation parameters (wave vector cutoff and noise amplitude) on the kinetics of nucleation and growth of minority phase precipitates. The obtained results are validated by the example of iron–chromium alloys.

From Unnatural Amino Acid Incorporation to Artificial Metalloenzymes

KAUST Repository

Makki, Arwa A.

2016-12-04

Studies and development of artificial metalloenzymes have developed into vibrant areas of research. It is expected that artificial metalloenzymes will be able to combine the best of enzymatic and homogenous catalysis, that is, a broad catalytic scope, high selectivity and activity under mild, aqueous conditions. Artificial metalloenzyme consist of a host protein and a newly introduced artificial metal center. The host protein merely functions as ligand controlling selectivity and augmenting reactivity, while the metal center determines the reactivity. Potential applications range from catalytic production of fine chemicals and feedstock to electron transfer utilization (e.g. fuel cells, water splitting) and medical research (e.g. metabolic screening). Particularly modern asymmetric synthesis is expected to benefit from a successful combination of the power of biocatalysis (substrate conversion via multi-step or cascade reactions, potentially immortal catalyst, unparalleled selectivity and optimization by evolutionary methods) with the versatility and mechanism based optimization methods of homogeneous catalysis. However, so far systems are either limited in structural diversity (biotin-avidin technology) or fail to deliver the selectivities expected (covalent approaches). This thesis explores a novel strategy based on the site-selective incorporation of unnatural, metal binding amino acids into a host protein. The unnatural amino acids can either serve directly as metal binding centers can be used as anchoring points for artificial metallo-cofactors. The identification expression, purification and modification of a suitable protein scaffolds is fundamental to successfully develop this field. Chapter 2 and 3 detail a rational approach leading to a highly engineered host protein. Starting with fluorescent proteins, which combine high thermal and pH stability, high expression yields, and fluorescence for ease of quantification and monitoring an efficient and fast

Improved success of sparse matrix protein crystallization screening with heterogeneous nucleating agents.

Directory of Open Access Journals (Sweden)

Anil S Thakur

2007-10-01

Full Text Available Crystallization is a major bottleneck in the process of macromolecular structure determination by X-ray crystallography. Successful crystallization requires the formation of nuclei and their subsequent growth to crystals of suitable size. Crystal growth generally occurs spontaneously in a supersaturated solution as a result of homogenous nucleation. However, in a typical sparse matrix screening experiment, precipitant and protein concentration are not sampled extensively, and supersaturation conditions suitable for nucleation are often missed.We tested the effect of nine potential heterogenous nucleating agents on crystallization of ten test proteins in a sparse matrix screen. Several nucleating agents induced crystal formation under conditions where no crystallization occurred in the absence of the nucleating agent. Four nucleating agents: dried seaweed; horse hair; cellulose and hydroxyapatite, had a considerable overall positive effect on crystallization success. This effect was further enhanced when these nucleating agents were used in combination with each other.Our results suggest that the addition of heterogeneous nucleating agents increases the chances of crystal formation when using sparse matrix screens.

Enhancement of the droplet nucleation in a dense supersaturated Lennard-Jones vapor

Energy Technology Data Exchange (ETDEWEB)

Zhukhovitskii, D. I., E-mail: dmr@ihed.ras.ru [Joint Institute of High Temperatures, Russian Academy of Sciences, Izhorskaya 13, Bd. 2, 125412 Moscow (Russian Federation)

2016-05-14

The vapor–liquid nucleation in a dense Lennard-Jones system is studied analytically and numerically. A solution of the nucleation kinetic equations, which includes the elementary processes of condensation/evaporation involving the lightest clusters, is obtained, and the nucleation rate is calculated. Based on the equation of state for the cluster vapor, the pre-exponential factor is obtained. The latter diverges as a spinodal is reached, which results in the nucleation enhancement. The work of critical cluster formation is calculated using the previously developed two-parameter model (TPM) of small clusters. A simple expression for the nucleation rate is deduced and it is shown that the work of cluster formation is reduced for a dense vapor. This results in the nucleation enhancement as well. To verify the TPM, a simulation is performed that mimics a steady-state nucleation experiments in the thermal diffusion cloud chamber. The nucleating vapor with and without a carrier gas is simulated using two different thermostats for the monomers and clusters. The TPM proves to match the simulation results of this work and of other studies.

Artificial neural network applied to ONB in vertical narrow annulus experiment

International Nuclear Information System (INIS)

Yun Guo; Guanghui Su; Dounan Jia; Jiaqiang Wang

2005-01-01

Full text of publication follows: It is very important to study the onset of nucleate boiling (ONB) in narrow channel. Engineering applications of the narrow channel are used more and more widely. The narrow channel is used in microelectronics. Narrow annular channel is also adopted to design the new type of heat exchanger. The ONB is usually regarded as the point of demarcation between the single-phase flow and two phase flow. So it is significant to study the onset of nucleate boiling in the judgment of the flow pattern and engineering design. Although the researches showed that the ONB in narrow space channel were different from that in common pipe, most of them did not study the bilateral heated effect on the ONB. The ONB was investigated for water flowing in the annular channel which gap is 1.2 mm at the pressure range from 0.10 to 5.0 MPa. The effect of some parameters on the ONB, such as the mass flux, pressure, inlet subcooled temperature, bilateral heating was analyzed. But the experiment has not been carried in great wide range of the pressure and flow flux. So the artificial neural networks were used to predict the ONB at wide range parameter. Recently artificial neural networks (ANNs) have been used widely in the field of reactor thermal-hydraulics because they can solve very complex multivariable and high non-linearity problems. The researchers can pay attention to the output results and be unaware of the inside characters of the networks. Most of them are used to predict the critical heat flux and some other accident problems. In fact some small-scale artificial neural networks can be used in thermal-hydraulic experiments easily. Based on the ONB experimental data, an artificial neural network (BP) is built to specify the ONB. According to a lot of experiments data another middle scale ANN is built to predict the ONB of narrow gap annular channels. The results are compared with other correlations. It was concluded that the power density of ONB in the

Non-self-averaging nucleation rate due to quenched disorder

International Nuclear Information System (INIS)

Sear, Richard P

2012-01-01

We study the nucleation of a new thermodynamic phase in the presence of quenched disorder. The quenched disorder is a generic model of both impurities and disordered porous media; both are known to have large effects on nucleation. We find that the nucleation rate is non-self-averaging. This is in a simple Ising model with clusters of quenched spins. We also show that non-self-averaging behaviour is straightforward to detect in experiments, and may be rather common. (fast track communication)

Influence of an oscillator bath on the nucleation rate

International Nuclear Information System (INIS)

Amritkar, R.E.

1984-09-01

The nucleation rate of a system in a metastable state coupled to an oscillator bath is considered. It is shown that for a weak coupling and small oscillator frequencies the nucleation rate increases. (author)

Nucleation and growth in alkaline zinc electrodeposition An Experimental and Theoretical study

Science.gov (United States)

Desai, Divyaraj

The current work seeks to investigate the nucleation and growth of zinc electrodeposition in alkaline electrolyte, which is of commercial interest to alkaline zinc batteries for energy storage. The morphology of zinc growth places a severe limitation on the typical cycle life of such batteries. The formation of mossy zinc leads to a progressive deterioration of battery performance while zinc dendrites are responsible for sudden catastrophic battery failure. The problems are identified as the nucleation-controlled formation of mossy zinc and the transport-limited formation of dendritic zinc. Consequently, this thesis work seeks to investigate and accurately simulate the conditions under which such morphologies are formed. The nucleation and early-stage growth of Zn electrodeposits is studied on carbon-coated TEM grids. At low overpotentials, the morphology develops by aggregation at two distinct length scales: ~5 nm diameter monocrystalline nanoclusters form ~50nm diameter polycrystalline aggregates, and second, the aggregates form a branched network. Epitaxial (0002) growth above a critical overpotential leads to the formation of hexagonal single-crystals. A kinetic model is provided using the rate equations of vapor solidification to simulate the evolution of the different morphologies. On solving these equations, we show that aggregation is attributed to cluster impingement and cluster diffusion while single-crystal formation is attributed to direct attachment. The formation of dendritic zinc is investigated using in-operando transmission X-ray microscopy which is a unique technique for imaging metal electrodeposits. The nucleation density of zinc nuclei is lowered using polyaniline films to cover the active nucleation sites. The effect of overpotential is investigated and the morphology shows beautiful in-operando formation of symmetric zinc crystals. A linear perturbation model was developed to predict the growth and formation of these crystals to first

Ice nucleation activity of polysaccharides

Science.gov (United States)

Bichler, Magdalena; Felgitsch, Laura; Haeusler, Thomas; Seidl-Seiboth, Verena; Grothe, Hinrich

2015-04-01

Heterogeneous ice nucleation is an important process in the atmosphere. It shows direct impact on our climate by triggering ice cloud formation and therefore it has much influence on the radiation balance of our planet (Lohmann et al. 2002; Mishchenko et al. 1996). The process itself is not completely understood so far and many questions remain open. Different substances have been found to exhibit ice nucleation activity (INA). Due to their vast differences in chemistry and morphology it is difficult to predict what substance will make good ice nuclei and which will not. Hence simple model substances must be found and be tested regarding INA. Our work aims at gaining to a deeper understanding of heterogeneous ice nucleation. We intend to find some reference standards with defined chemistry, which may explain the mechanisms of heterogeneous ice nucleation. A particular focus lies on biological carbohydrates in regards to their INA. Biological carbohydrates are widely distributed in all kingdoms of life. Mostly they are specific for certain organisms and have well defined purposes, e.g. structural polysaccharides like chitin (in fungi and insects) and pectin (in plants), which has also water-binding properties. Since they are widely distributed throughout our biosphere and mostly safe to use for nutrition purposes, they are well studied and easily accessible, rendering them ideal candidates as proxies. In our experiments we examined various carbohydrates, like the already mentioned chitin and pectin, as well as their chemical modifications. Lohmann U.; A Glaciation Indirect Aerosol Effect Caused by Soot Aerosols; J. Geoph. Res.; Vol. 24 No.4; pp 11-1 - 11-4; 2002 Mishchenko M.I., Rossow W.B., Macke A., Lacis A. A.; Sensitivity of Cirrus Cloud Albedo, Bidirectional Reflectance and Optical Thickness Retrieval Accuracy to Ice Particle Shape, J. Geoph. Res.; Vol. 101, No D12; pp. 16,973 - 16,985; 1996

Spray structure as generated under homogeneous flash boiling nucleation regime

International Nuclear Information System (INIS)

Levy, M.; Levy, Y.; Sher, E.

2014-01-01

We show the effect of the initial pressure and temperature on the spatial distribution of droplets size and their velocity profile inside a spray cloud that is generated by a flash boiling mechanism under homogeneous nucleation regime. We used TSI's Phase Doppler Particle Analyzer (PDPA) to characterize the spray. We conclude that the homogeneous nucleation process is strongly affected by the initial liquid temperature while the initial pressure has only a minor effect. The spray shape is not affected by temperature or pressure under homogeneous nucleation regime. We noted that the only visible effect is in the spray opacity. Finally, homogeneous nucleation may be easily achieved by using a simple atomizer construction, and thus is potentially suitable for fuel injection systems in combustors and engines. - Highlights: • We study the characteristics of a spray that is generated by a flash boiling process. • In this study, the flash boiling process occurs under homogeneous nucleation regime. • We used Phase Doppler Particle Analyzer (PDPA) to characterize the spray. • The SMD has been found to be strongly affected by the initial liquid temperature. • Homogeneous nucleation may be easily achieved by using a simple atomizer unit

Chlorine-containing salts as water ice nucleating particles on Mars

Science.gov (United States)

Santiago-Materese, D. L.; Iraci, L. T.; Clapham, M. E.; Chuang, P. Y.

2018-03-01

Water ice cloud formation on Mars largely is expected to occur on the most efficient ice nucleating particle available. Salts have been observed on the Martian surface and have been known to facilitate water cloud formation on Earth. We examined heterogeneous ice nucleation onto sodium chloride and sodium perchlorate substrates under Martian atmospheric conditions, in the range of 150 to 180 K and 10-7 to 10-5 Torr water partial pressure. Sub-155 K data for the critical saturation ratio (Scrit) suggests an exponential model best describes the temperature-dependence of nucleation onset of water ice for all substrates tested. While sodium chloride does not facilitate water ice nucleation more easily than bare silicon, sodium perchlorate does support depositional nucleation at lower saturation levels than other substrates shown and is comparable to smectite-rich clay in its ability to support cloud initiation. Perchlorates could nucleate water ice at partial pressures up to 40% lower than other substrates examined to date under Martian atmospheric conditions. These findings suggest air masses on Mars containing uplifted salts such as perchlorates could form water ice clouds at lower saturation ratios than in air masses absent similar particles.

Analysis of isothermal and cooling-rate-dependent immersion freezing by a unifying stochastic ice nucleation model

Science.gov (United States)

Alpert, Peter A.; Knopf, Daniel A.

2016-02-01

Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature, T, and relative humidity, RH, at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature) and cooling-rate-dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nucleating particles (INPs) all have the same INP surface area (ISA); however, the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. Descriptions of ice active sites and variability of contact angles have been successfully formulated to describe ice nucleation experimental data in previous research; however, we consider the ability of a stochastic freezing model founded on classical nucleation theory to reproduce previous results and to explain experimental uncertainties and data scatter. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses parameters including the total number of droplets, Ntot, and the heterogeneous ice nucleation rate coefficient, Jhet(T). This model is applied to address if (i) a time and ISA-dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii) the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and acoustically levitated droplets

Grain nucleation and growth during phase transformations

DEFF Research Database (Denmark)

Offerman, S.E.; Dijk, N.H. van; Sietsma, J.

2002-01-01

of individual grains. Our measurements show that the activation energy for grain nucleation is at least two orders of magnitude smaller than that predicted by thermodynamic models. The observed growth curves of the newly formed grains confirm the parabolic growth model but also show three fundamentally...... different types of growth. Insight into the grain nucleation and growth mechanisms during phase transformations contributes to the development of materials with optimal mechanical properties....

Nonequilibrium thermodynamics of nucleation

NARCIS (Netherlands)

Schweizer, M.; Sagis, L.M.C.

2014-01-01

We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a

Investigating heterogeneous nucleation in peritectic materials via the phase-field method

International Nuclear Information System (INIS)

Emmerich, Heike; Siquieri, Ricardo

2006-01-01

Here we propose a phase-field approach to investigate the influence of convection on peritectic growth as well as the heterogeneous nucleation kinetics of peritectic systems. For this purpose we derive a phase-field model for peritectic growth taking into account fluid flow in the melt, which is convergent to the underlying sharp interface problem in the thin interface limit (Karma and Rappel 1996 Phys. Rev. E 53 R3017). Moreover, we employ our new phase-field model to study the heterogeneous nucleation kinetics of peritectic material systems. Our approach is based on a similar approach towards homogeneous nucleation in Granasy et al (2003 Interface and Transport Dynamics (Springer Lecture Notes in Computational Science and Engineering vol 32) ed Emmerich et al (Berlin: Springer) p 190). We applied our model successfully to extend the nucleation rate predicted by classical nucleation theory for an additional morphological term relevant for peritectic growth. Further applications to understand the mechanisms and consequences of heterogeneous nucleation kinetics in more detail are discussed

Sulfur driven nucleation mode formation in diesel exhaust under transient driving conditions.

Science.gov (United States)

Karjalainen, Panu; Rönkkö, Topi; Pirjola, Liisa; Heikkilä, Juha; Happonen, Matti; Arnold, Frank; Rothe, Dieter; Bielaczyc, Piotr; Keskinen, Jorma

2014-02-18

Sulfur driven diesel exhaust nucleation particle formation processes were studied in an aerosol laboratory, on engine dynamometers, and on the road. All test engines were equipped with a combination of a diesel oxidation catalyst (DOC) and a partial diesel particulate filter (pDPF). At steady operating conditions, the formation of semivolatile nucleation particles directly depended on SO2 conversion in the catalyst. The nucleation particle emission was most significant after a rapid increase in engine load and exhaust gas temperature. Results indicate that the nucleation particle formation at transient driving conditions does not require compounds such as hydrocarbons or sulfated hydrocarbons, however, it cannot be explained only by the nucleation of sulfuric acid. A real-world exhaust study with a heavy duty diesel truck showed that the nucleation particle formation occurs even with ultralow sulfur diesel fuel, even at downhill driving conditions, and that nucleation particles can contribute 60% of total particle number emissions. In general, due to sulfur storage and release within the exhaust aftertreatment systems and transients in driving, emissions of nucleation particles can even be the dominant part of modern diesel vehicle exhaust particulate number emissions.

Nucleation mechanisms in high energy ion beam induced dewetting

Energy Technology Data Exchange (ETDEWEB)

Haag, Michael; Garmatter, Daniel; Ferhati, Redi; Amirthapandian, Sankarakumar; Bolse, Wolfgang [Institut fuer Halbleiteroptik und Funktionelle Grenzflaechen, Universitaet Stuttgart (Germany)

2011-07-01

Solid coatings, when heated above their melting points, often break up by forming small round holes, which then grow, coalesce and finally turn the initially contiguous film into a pattern of isolated droplets. Such dewetting has been intensively studied using thin polymer films on Si. Three different hole nucleation mechanisms were discovered: homogeneous (spontaneous) nucleation, heterogeneous nucleation at defects, and spinodal dewetting by self-amplifying capillary waves. We have recently found that swift heavy ion (SHI) irradiation of thin oxide films on Si results in similar dewetting patterns, even though the films were kept far below their melting points. Using our new in-situ SEM at the UNILAC accelerator of GSI, we were now able to identify the mechanisms behind this SHI induced dewetting phenomenon. By varying the film thickness and introducing defects at the interface, we can directly address the hole nucleation processes. Besides homogeneous and heterogeneous nucleation, we also found a process, which very much resembles the spinodal mechanism found for liquid polymers, although in the present case the instable wavy surface is not generated by capillary waves, but by ion beam induced stresses.

On the Role of Ammonia in Arctic Aerosol Nucleation and Cloud Formation

Science.gov (United States)

Browse, J.; Dall'Osto, M.; Geels, C.; Skov, H.; Massling, A.; Boertmann, D.; Beddows, D.; Gordon, H.; Pringle, K.

2017-12-01

This study investigates the importance of ammonia in Arctic aerosol nucleation and the formation of cloud condensation nuclei (CCN) at high-latitudes. The importance of atmospheric nucleation processes to summertime Arctic aerosol concentration has been frequently noted at ground-stations, during campaigns and within models (which typically predict that the majority of aerosol in the Arctic summertime boundary layer derives from nucleation). However, as nucleation mechanisms in global models have increased in complexity (improving model skill globally) our skill in the Arctic has generally decreased. This decrease in model skill is likely due to a lack of organic compounds (monterpenes etc.) in the modelled high Arctic which have been identified as a key component in atmospheric nucleation in the mid-latitudes and thus incorporated into many global nucleation parametrisations. Recently it has been suggested that ammonia (also identified as a potentially important component in atmospheric nucleation) may control nucleation processes in the Arctic. However, the source (or sources) of Arctic ammonia remain unclear. Here, we use modelling, long-term aerosol in-situ observations, high resolution sea-ice satellite observations and new emission inventories to investigate the link between ammonia sources (including bird colonies, sea-ice melt and open ocean in the marginal ice zones) and nucleation events in the mid-to-high Arctic, and thus quantify the importance of individual ammonia sources to Arctic-wide CCN and cloud droplet populations.

Nucleation of Recrystallization studied by EBSP and 3DXRD

DEFF Research Database (Denmark)

West, Stine

2009-01-01

When a deformed crystalline material is annealed, recrystallization will typically take place. In this process new perfect crystals nucleate and grow, consuming the deformation structure. Traditionally, nucleation theories state that the crystal orientations of these new grains were already present...... in the deformed state, but several experiments have shown the emergence of what appears to be new orientations. The purpose of the present project was to observe nucleation of recrystallization both on surfaces and in the bulk. Special focus was on the possible formation of nuclei with orientations not present...... in the deformed matrix before annealing. To facilitate the nucleation studies, a well-annealed starting material was prepared from high-purity aluminum with a large average grain size and almost straight grain boundaries mostly forming triple junctions with angles close to 120°. The large grain size was necessary...

Acoustic Effects in Classical Nucleation Theory

Science.gov (United States)

Baird, J. K.; Su, C.-H.

2017-01-01

The effect of sound wave oscillations on the rate of nucleation in a parent phase can be calculated by expanding the free energy of formation of a nucleus of the second phase in powers of the acoustic pressure. Since the period of sound wave oscillation is much shorter than the time scale for nucleation, the acoustic effect can be calculated as a time average of the free energy of formation of the nucleus. The leading non-zero term in the time average of the free energy is proportional to the square of the acoustic pressure. The Young-Laplace equation for the surface tension of the nucleus can be used to link the time average of the square of the pressure in the parent phase to its time average in the nucleus of the second phase. Due to the surface tension, the pressure in the nuclear phase is higher than the pressure in the parent phase. The effect is to lower the free energy of formation of the nucleus and increase the rate of nucleation.

Slow Slip and Earthquake Nucleation in Meter-Scale Laboratory Experiments

Science.gov (United States)

Mclaskey, G.

2017-12-01

The initiation of dynamic rupture is thought to be preceded by a quasistatic nucleation phase. Observations of recent earthquakes sometimes support this by illuminating slow slip and foreshocks in the vicinity of the eventual hypocenter. I describe laboratory earthquake experiments conducted on two large-scale loading machines at Cornell University that provide insight into the way earthquake nucleation varies with normal stress, healing time, and loading rate. The larger of the two machines accommodates a 3 m long granite sample, and when loaded to 7 MPa stress levels, we observe dynamic rupture events that are preceded by a measureable nucleation zone with dimensions on the order of 1 m. The smaller machine accommodates a 0.76 m sample that is roughly the same size as the nucleation zone. On this machine, small variations in nucleation properties result in measurable differences in slip events, and we generate both dynamic rupture events (> 0.1 m/s slip rates) and slow slip events ( 0.001 to 30 mm/s slip rates). Slow events occur when instability cannot fully nucleate before reaching the sample ends. Dynamic events occur after long healing times or abrupt increases in loading rate which suggests that these factors shrink the spatial and temporal extents of the nucleation zone. Arrays of slip, strain, and ground motion sensors installed on the sample allow us to quantify seismic coupling and study details of premonitory slip and afterslip. The slow slip events we observe are primarily aseismic (less than 1% of the seismic coupling of faster events) and produce swarms of very small M -6 to M -8 events. These mechanical and seismic interactions suggest that faults with transitional behavior—where creep, small earthquakes, and tremor are often observed—could become seismically coupled if loaded rapidly, either by a slow slip front or dynamic rupture of an earthquake that nucleated elsewhere.

A two-parameter extension of classical nucleation theory

Science.gov (United States)

Lutsko, James F.; Durán-Olivencia, Miguel A.

2015-06-01

A two-variable stochastic model for diffusion-limited nucleation is developed using a formalism derived from fluctuating hydrodynamics. The model is a direct generalization of the standard classical nucleation theory (CNT). The nucleation rate and pathway are calculated in the weak-noise approximation and are shown to be in good agreement with direct numerical simulations for the weak-solution/strong-solution transition in globular proteins. We find that CNT underestimates the time needed for the formation of a critical cluster by two orders of magnitude and that this discrepancy is due to the more complex dynamics of the two variable model and not, as often is assumed, a result of errors in the estimation of the free energy barrier.

Polyamine sharing between tubulin dimers favours microtubule nucleation and elongation via facilitated diffusion.

Directory of Open Access Journals (Sweden)

Alain Mechulam

2009-01-01

Full Text Available We suggest for the first time that the action of multivalent cations on microtubule dynamics can result from facilitated diffusion of GTP-tubulin to the microtubule ends. Facilitated diffusion can promote microtubule assembly, because, upon encountering a growing nucleus or the microtubule wall, random GTP-tubulin sliding on their surfaces will increase the probability of association to the target sites (nucleation sites or MT ends. This is an original explanation for understanding the apparent discrepancy between the high rate of microtubule elongation and the low rate of tubulin association at the microtubule ends in the viscous cytoplasm. The mechanism of facilitated diffusion requires an attraction force between two tubulins, which can result from the sharing of multivalent counterions. Natural polyamines (putrescine, spermidine, and spermine are present in all living cells and are potent agents to trigger tubulin self-attraction. By using an analytical model, we analyze the implication of facilitated diffusion mediated by polyamines on nucleation and elongation of microtubules. In vitro experiments using pure tubulin indicate that the promotion of microtubule assembly by polyamines is typical of facilitated diffusion. The results presented here show that polyamines can be of particular importance for the regulation of the microtubule network in vivo and provide the basis for further investigations into the effects of facilitated diffusion on cytoskeleton dynamics.

Polyol Synthesis of Silver Nanowires by Heterogeneous Nucleation and Mechanistic Aspects Influencing its Length and Diameter

Science.gov (United States)

Schuette, Waynie Mark

Various additives are employed in the polyol synthesis of silver nanowires (Ag NWs), which are typically halide salts such as NaCl. A variety of mechanistic roles have been suggested for these additives. My research showed that the early addition of NaCl in the polyol synthesis of Ag NWs from AgNO3 in ethylene glycol results in the rapid formation of AgCl nanocubes, which induce the heterogeneous nucleation of metallic Ag upon their surfaces. Ag NWs subsequently grow from these nucleation sites. The conclusions are supported by studies using ex-situ generated AgCl nanocubes. Additionally, the final mean silver nanowire diameter is found to be independent of the size of the heterogeneous nucleant, showing that the diameter is not significantly influenced by the nucleation event. Kinetics studies determine that nanowire diameter, length, and aspect ratio grow in parallel to one another and with the extent of the Ag+ reduction reaction, demonstrating that growth is reduction-rate limited. The results are interpreted to support nanowire growth by a surface-catalyzed reduction process occurring on all nanowire surfaces, and to exclude nanoparticle aggregation or Ostwald ripening as primary components of the growth mechanism.

Overview: Understanding nucleation phenomena from simulations of lattice gas models

International Nuclear Information System (INIS)

Binder, Kurt; Virnau, Peter

2016-01-01

Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas models are reviewed with an emphasis on the general insight gained on the mechanisms by which metastable states decay. Attention is paid to the proper distinction of particles that belong to a cluster (droplet), that may trigger a nucleation event, from particles in its environment, a problem crucial near the critical point. Well below the critical point, the lattice structure causes an anisotropy of the interface tension, and hence nonspherical droplet shapes result, making the treatment nontrivial even within the conventional classical theory of homogeneous nucleation. For temperatures below the roughening transition temperature facetted crystals rather than spherical droplets result. The possibility to find nucleation barriers from a thermodynamic analysis avoiding a cluster identification on the particle level is discussed, as well as the question of curvature corrections to the interfacial tension. For the interpretation of heterogeneous nucleation at planar walls, knowledge of contact angles and line tensions is desirable, and methods to extract these quantities from simulations will be mentioned. Finally, also the problem of nucleation near the stability limit of metastable states and the significance of the spinodal curve will be discussed, in the light of simulations of Ising models with medium range interactions.

The Nucleation of Protein Aggregates - From Crystals to Amyloid Fibrils.

Science.gov (United States)

Buell, Alexander K

2017-01-01

The condensation and aggregation of individual protein molecules into dense insoluble phases is of relevance in such diverse fields as materials science, medicine, structural biology and pharmacology. A common feature of these condensation phenomena is that they usually are nucleated processes, i.e. the first piece of the condensed phase is energetically costly to create and hence forms slowly compared to its subsequent growth. Here we give a compact overview of the differences and similarities of various protein nucleation phenomena, their theoretical description in the framework of colloid and polymer science and their experimental study. Particular emphasis is put on the nucleation of a specific type of filamentous protein aggregates, amyloid fibrils. The current experimentally derived knowledge on amyloid fibril nucleation is critically assessed, and we argue that it is less advanced than is generally believed. This is due to (I) the lack of emphasis that has been put on the distinction between homogeneous and heterogeneous nucleation in experimental studies (II) the use of oversimplifying and/or inappropriate theoretical frameworks for the analysis of kinetic data of amyloid fibril nucleation. A strategy is outlined and advocated of how our understanding of this important class of processes can be improved in the future. © 2017 Elsevier Inc. All rights reserved.

Preferential nucleation, guiding, and blocking of self-propelled droplets by dislocations

Science.gov (United States)

Kanjanachuchai, Songphol; Wongpinij, Thipusa; Kijamnajsuk, Suphakan; Himwas, Chalermchai; Panyakeow, Somsak; Photongkam, Pat

2018-04-01

Lattice-mismatched layers of GaAs/InGaAs are grown on GaAs(001) using molecular beam epitaxy and subsequently heated in vacuum while the surface is imaged in situ using low-energy electron microscopy, in order to study (i) the nucleation of group-III droplets formed as a result of noncongruent sublimation and (ii) the dynamics of these self-propelled droplets as they navigate the surface. It is found that the interfacial misfit dislocation network not only influences the nucleation sites of droplets, but also exerts unusual steering power over their subsequent motion. Atypical droplet flow patterns including 90° and 180° turns are found. The directions of these dislocations-guided droplets are qualitatively explained in terms of in-plane and out-of-plane stress fields associated with the buried dislocations and the driving forces due to chemical potential and stress gradients typical of Marangoni flow. The findings would benefit processes and devices that employ droplets as catalysts or active structures such as droplet epitaxy of quantum nanostructures, vapor-liquid-solid growth of nanowires, or the fabrication of self-integrated circuits.

The barrier to ice nucleation in monatomic water

Science.gov (United States)

Prestipino, Santi

2018-03-01

Crystallization from a supercooled liquid initially proceeds via the formation of a small solid embryo (nucleus), which requires surmounting an activation barrier. This phenomenon is most easily studied by numerical simulation, using specialized biased-sampling techniques to overcome the limitations imposed by the rarity of nucleation events. Here, I focus on the barrier to homogeneous ice nucleation in supercooled water, as represented by the monatomic-water model, which in the bulk exhibits a complex interplay between different ice structures. I consider various protocols to identify solidlike particles on a computer, which perform well enough for the Lennard-Jones model, and compare their respective impact on the shape and height of the nucleation barrier. It turns out that the effect is stronger on the nucleus size than on the barrier height. As a by-product of the analysis, I determine the structure of the nucleation cluster, finding that the relative amount of ice phases in the cluster heavily depends on the method used for classifying solidlike particles. Moreover, the phase which is most favored during the earlier stages of crystallization may happen, depending on the nucleation coordinate adopted, to be different from the stable polymorph. Therefore, the quality of a reaction coordinate cannot be assessed simply on the basis of the barrier height obtained. I explain how this outcome is possible and why it just points out the shortcoming of collective variables appropriate to simple fluids in providing a robust method of particle classification for monatomic water.

Monte-Carlo simulation of defect-cluster nucleation in metals during irradiation

International Nuclear Information System (INIS)

Nakasuji, Toshiki; Morishita, Kazunori; Ruan, Xiaoyong

2017-01-01

Highlights: • Monte-Carlo simulations were performed to investigate the nucleation process of copper-vacancy clusters in Fe. • Nucleation paths were obtained as a function of temperature and the damage rate. - Abstract: A multiscale modeling approach was applied to investigate the nucleation process of CRPs (copper rich precipitates, i.e., copper-vacancy clusters) in α-Fe containing 1 at.% Cu during irradiation. Monte-Carlo simulations were performed to investigate the nucleation process, with the rate theory equation analysis to evaluate the concentration of displacement defects, along with the molecular dynamics technique to know CRP thermal stabilities in advance. Our MC simulations showed that there is long incubation period at first, followed by a rapid growth of CRPs. The incubation period depends on irradiation conditions such as the damage rate and temperature. CRP’s composition during nucleation varies with time. The copper content of CRPs shows relatively rich at first, and then becomes poorer as the precipitate size increases. A widely-accepted model of CRP nucleation process is finally proposed.

Monte-Carlo simulation of defect-cluster nucleation in metals during irradiation

Energy Technology Data Exchange (ETDEWEB)

Nakasuji, Toshiki, E-mail: t-nakasuji@iae.kyoto-u.ac.jp [Graduate School of Energy Science, Kyoto University, Uji, Kyoto 611-0011 (Japan); Morishita, Kazunori [Institute of Advanced Energy, Kyoto University, Uji, Kyoto 611-0011 (Japan); Ruan, Xiaoyong [Graduate School of Energy Science, Kyoto University, Uji, Kyoto 611-0011 (Japan)

2017-02-15

Highlights: • Monte-Carlo simulations were performed to investigate the nucleation process of copper-vacancy clusters in Fe. • Nucleation paths were obtained as a function of temperature and the damage rate. - Abstract: A multiscale modeling approach was applied to investigate the nucleation process of CRPs (copper rich precipitates, i.e., copper-vacancy clusters) in α-Fe containing 1 at.% Cu during irradiation. Monte-Carlo simulations were performed to investigate the nucleation process, with the rate theory equation analysis to evaluate the concentration of displacement defects, along with the molecular dynamics technique to know CRP thermal stabilities in advance. Our MC simulations showed that there is long incubation period at first, followed by a rapid growth of CRPs. The incubation period depends on irradiation conditions such as the damage rate and temperature. CRP’s composition during nucleation varies with time. The copper content of CRPs shows relatively rich at first, and then becomes poorer as the precipitate size increases. A widely-accepted model of CRP nucleation process is finally proposed.

Heterogeneous Nucleation of Colloidal Crystals on a Glass Substrate with Depletion Attraction.

Science.gov (United States)

Guo, Suxia; Nozawa, Jun; Hu, Sumeng; Koizumi, Haruhiko; Okada, Junpei; Uda, Satoshi

2017-10-10

The heterogeneous nucleation of colloidal crystals with attractive interactions has been investigated via in situ observations. We have found two types of nucleation processes: a cluster that overcomes the critical size for nucleation with a monolayer, and a method that occurs with two layers. The Gibbs free energy changes (ΔG) for these two types of nucleation processes are evaluated by taking into account the effect of various interfacial energies. In contrast to homogeneous nucleation, the change in interfacial free energy, Δσ, is generated for colloidal nucleation on a foreign substrate such as a cover glass in the present study. The Δσ and step free energy of the first layer, γ 1 , are obtained experimentally based on the equation deduced from classical nucleation theory (CNT). It is concluded that the ΔG of q-2D nuclei is smaller than of monolayer nuclei, provided that the same number of particles are used, which explains the experimental result that the critical size in q-2D nuclei is smaller than that in monolayer nuclei.

The influence of surface morphology and oxide microstructure on the nucleation and growth of uranium hydride on alpha uranium

International Nuclear Information System (INIS)

Hanrahan, R.J. Jr.; Hawley, M.E.; Brown, G.W.

1998-01-01

While the bulk kinetics of the uranium-hydrogen reaction are well understood, the mechanisms underlying the initial nucleation of uranium hydride on uranium remain controversial. In this study, the authors have employed environmental cell optical microscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy, (AFM) in an attempt to relate the structure of the surface and the microstructure of the substrate with the susceptibility and site of hydride nucleation. Samples have been investigated with varying grain size, inclusion (carbide) concentration, and thermal history. There is a clear correlation to heat treatment immediately prior to hydrogen exposure. Susceptibility to hydride formation also appears to be related to impurities in the uranium. The oxidized surface is very complex, exhibiting wide variations in thickness and topography between samples, between grains in the same sample, and within individual grains. It is, however, very difficult to relate this fine scale variability to the relatively sparse hydride initiation sites. Therefore, the surface oxide layer itself does not appear to control the sites where hydride attack is initiated, although it must play a role in the induction period prior to hydride initiation

The influence of surface morphology and oxide microstructure on the nucleation and growth of uranium hydride on alpha uranium

Energy Technology Data Exchange (ETDEWEB)

Hanrahan, R.J. Jr.; Hawley, M.E.; Brown, G.W. [Los Alamos National Lab., NM (United States). Materials Science and Technology Div.

1998-12-31

While the bulk kinetics of the uranium-hydrogen reaction are well understood, the mechanisms underlying the initial nucleation of uranium hydride on uranium remain controversial. In this study the authors have employed environmental cell optical microscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy, (AFM) in an attempt to relate the structure of the surface and the microstructure of the substrate with the susceptibility and site of hydride nucleation. Samples have been investigated with varying grain size, inclusion (carbide) concentration, and thermal history. There is a clear correlation to heat treatment immediately prior to hydrogen exposure. Susceptibility to hydride formation also appears to be related to impurities in the uranium. The oxidized surface is very complex, exhibiting wide variations in thickness and topography between samples, between grains in the same sample, and within individual grains. It is, however, very difficult to relate this fine scale variability to the relatively sparse hydride initiation sites. Therefore, the surface oxide layer itself does not appear to control the sites where hydride attack is initiated, although it must play a role in the induction period prior to hydride initiation.

The influence of surface morphology and oxide microstructure on the nucleation and growth of uranium hydride on alpha uranium

Energy Technology Data Exchange (ETDEWEB)

Hanrahan, R.J. Jr.; Hawley, M.E.; Brown, G.W.

1998-12-31

While the bulk kinetics of the uranium-hydrogen reaction are well understood, the mechanisms underlying the initial nucleation of uranium hydride on uranium remain controversial. In this study, the authors have employed environmental cell optical microscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy, (AFM) in an attempt to relate the structure of the surface and the microstructure of the substrate with the susceptibility and site of hydride nucleation. Samples have been investigated with varying grain size, inclusion (carbide) concentration, and thermal history. There is a clear correlation to heat treatment immediately prior to hydrogen exposure. Susceptibility to hydride formation also appears to be related to impurities in the uranium. The oxidized surface is very complex, exhibiting wide variations in thickness and topography between samples, between grains in the same sample, and within individual grains. It is, however, very difficult to relate this fine scale variability to the relatively sparse hydride initiation sites. Therefore, the surface oxide layer itself does not appear to control the sites where hydride attack is initiated, although it must play a role in the induction period prior to hydride initiation.

Parameterization of ion-induced nucleation rates based on ambient observations

Directory of Open Access Journals (Sweden)

T. Nieminen

2011-04-01

Full Text Available Atmospheric ions participate in the formation of new atmospheric aerosol particles, yet their exact role in this process has remained unclear. Here we derive a new simple parameterization for ion-induced nucleation or, more precisely, for the formation rate of charged 2-nm particles. The parameterization is semi-empirical in the sense that it is based on comprehensive results of one-year-long atmospheric cluster and particle measurements in the size range ~1–42 nm within the EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions project. Data from 12 field sites across Europe measured with different types of air ion and cluster mobility spectrometers were used in our analysis, with more in-depth analysis made using data from four stations with concomitant sulphuric acid measurements. The parameterization is given in two slightly different forms: a more accurate one that requires information on sulfuric acid and nucleating organic vapor concentrations, and a simpler one in which this information is replaced with the global radiation intensity. These new parameterizations are applicable to all large-scale atmospheric models containing size-resolved aerosol microphysics, and a scheme to calculate concentrations of sulphuric acid, condensing organic vapours and cluster ions.

New mechanism for bubble nucleation: Classical transitions

International Nuclear Information System (INIS)

Easther, Richard; Giblin, John T. Jr; Hui Lam; Lim, Eugene A.

2009-01-01

Given a scalar field with metastable minima, bubbles nucleate quantum mechanically. When bubbles collide, energy stored in the bubble walls is converted into kinetic energy of the field. This kinetic energy can facilitate the classical nucleation of new bubbles in minima that lie below those of the 'parent' bubbles. This process is efficient and classical, and changes the dynamics and statistics of bubble formation in models with multiple vacua, relative to that derived from quantum tunneling.

Effect of Air Injection on Nucleation Rates

DEFF Research Database (Denmark)

Capellades Mendez, Gerard; Kiil, Søren; Dam-Johansen, Kim

2017-01-01

From disruption of the supersaturated solution to improved mass transfer in the crystallizing suspension, the introduction of a moving gas phase in a crystallizer could lead to improved rates of nucleation and crystal growth. In this work, saturated air has been injected to batch crystallizers...... to study the effects on formation of the first crystal and subsequent turbidity buildup. To account for the typically large sample-to-sample variation, nucleation rates were evaluated for a large number of replicates using probability distributions of induction times. The slope and the intercept...... was reduced from 69 to 13 min, and the mean induction time decreased from 128 to 36 min. The effect on aqueous solutions of l-arginine was less apparent, with a detection delay reduction from 15 to 3 min, and no significant changes on the rate of primary nucleation. These results demonstrate the potential...

Ion-induced nucleation of pure biogenic particles

CERN Document Server

Kirkby, Jasper; Sengupta, Kamalika; Frege, Carla; Gordon, Hamish; Williamson, Christina; Heinritzi, Martin; Simon, Mario; Yan, Chao; Almeida, João; Tröstl, Jasmin; Nieminen, Tuomo; Ortega, Ismael K; Wagner, Robert; Adamov, Alexey; Amorim, Antonio; Bernhammer, Anne-Kathrin; Bianchi, Federico; Breitenlechner, Martin; Brilke, Sophia; Chen, Xuemeng; Craven, Jill; Dias, antonio; Ehrhart, Sebastian; Flagan, Richard C; Franchin, Alessandro; Fuchs, Claudia; Guida, Roberto; Hakala, Jani; Hoyle, Christopher R; Jokinen, Tuija; Junninen, Heikki; Kangasluoma, Juha; Kim, Jaeseok; Krapf, Manuel; Kürten, andreas; Laaksonen, Ari; Lehtipalo, Katrianne; Makhmutov, Vladimir; Mathot, Serge; Molteni, Ugo; Onnela, antti; Peräkylä, Otso; Piel, Felix; Petäjä, Tuukka; Praplan, Arnaud P; Pringle, Kirsty; Rap, Alexandru; Richards, Nigel A D; Riipinen, Ilona; Rissanen, Matti P; Rondo, Linda; Sarnela, Nina; Schobesberger, Siegfried; Scott, Catherine E; Seinfeld, John H; Sipilä, Mikko; Steiner, Gerhard; Stozhkov, Yuri; Stratmann, Frank; Tomé, Antonio; Virtanen, Annele; Vogel, Alexander L; Wagner, Andrea C; Wagner, Paul E; Weingartner, Ernest; Wimmer, Daniela; Winkler, Paul M; Ye, Penglin; Zhang, Xuan; Hansel, Armin; Dommen, Josef; Donahue, Neil M; Worsnop, Douglas R; Baltensperger, Urs; Kulmala, Markku; Carslaw, Kenneth S; Curtius, Joachim

2016-01-01

Atmospheric aerosols and their effect on clouds are thought to be important for anthropogenic radiative forcing of the climate, yet remain poorly understood. Globally, around half of cloud condensation nuclei originate from nucleation of atmospheric vapours. It is thought that sulfuric acid is essential to initiate most particle formation in the atmosphere and that ions have a relatively minor role. Some laboratory studies, however, have reported organic particle formation without the intentional addition of sulfuric acid, although contamination could not be excluded. Here we present evidence for the formation of aerosol particles from highly oxidized biogenic vapours in the absence of sulfuric acid in a large chamber under atmospheric conditions. The highly oxygenated molecules (HOMs) are produced by ozonolysis of $\\alpha$-pinene. We find that ions from Galactic cosmic rays increase the nucleation rate by one to two orders of magnitude compared with neutral nucleation. Our experimental findings are supported...

High variability of the heterogeneous ice nucleation potential of oxalic acid dihydrate and sodium oxalate

Directory of Open Access Journals (Sweden)

R. Wagner

2010-08-01

Full Text Available The heterogeneous ice nucleation potential of airborne oxalic acid dihydrate and sodium oxalate particles in the deposition and condensation mode has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 244 and 228 K. Previous laboratory studies have highlighted the particular role of oxalic acid dihydrate as the only species amongst a variety of other investigated dicarboxylic acids to be capable of acting as a heterogeneous ice nucleus in both the deposition and immersion mode. We could confirm a high deposition mode ice activity for 0.03 to 0.8 μm sized oxalic acid dihydrate particles that were either formed by nucleation from a gaseous oxalic acid/air mixture or by rapid crystallisation of highly supersaturated aqueous oxalic acid solution droplets. The critical saturation ratio with respect to ice required for deposition nucleation was found to be less than 1.1 and the size-dependent ice-active fraction of the aerosol population was in the range from 0.1 to 22%. In contrast, oxalic acid dihydrate particles that had crystallised from less supersaturated solution droplets and had been allowed to slowly grow in a supersaturated environment from still unfrozen oxalic acid solution droplets over a time period of several hours were found to be much poorer heterogeneous ice nuclei. We speculate that under these conditions a crystal surface structure with less-active sites for the initiation of ice nucleation was generated. Such particles partially proved to be almost ice-inactive in both the deposition and condensation mode. At times, the heterogeneous ice nucleation ability of oxalic acid dihydrate significantly changed when the particles had been processed in preceding cloud droplet activation steps. Such behaviour was also observed for the second investigated species, namely sodium oxalate. Our experiments address the atmospheric scenario

High variability of the heterogeneous ice nucleation potential of oxalic acid dihydrate and sodium oxalate

Science.gov (United States)

Wagner, R.; Möhler, O.; Saathoff, H.; Schnaiter, M.; Leisner, T.

2010-08-01

The heterogeneous ice nucleation potential of airborne oxalic acid dihydrate and sodium oxalate particles in the deposition and condensation mode has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 244 and 228 K. Previous laboratory studies have highlighted the particular role of oxalic acid dihydrate as the only species amongst a variety of other investigated dicarboxylic acids to be capable of acting as a heterogeneous ice nucleus in both the deposition and immersion mode. We could confirm a high deposition mode ice activity for 0.03 to 0.8 μm sized oxalic acid dihydrate particles that were either formed by nucleation from a gaseous oxalic acid/air mixture or by rapid crystallisation of highly supersaturated aqueous oxalic acid solution droplets. The critical saturation ratio with respect to ice required for deposition nucleation was found to be less than 1.1 and the size-dependent ice-active fraction of the aerosol population was in the range from 0.1 to 22%. In contrast, oxalic acid dihydrate particles that had crystallised from less supersaturated solution droplets and had been allowed to slowly grow in a supersaturated environment from still unfrozen oxalic acid solution droplets over a time period of several hours were found to be much poorer heterogeneous ice nuclei. We speculate that under these conditions a crystal surface structure with less-active sites for the initiation of ice nucleation was generated. Such particles partially proved to be almost ice-inactive in both the deposition and condensation mode. At times, the heterogeneous ice nucleation ability of oxalic acid dihydrate significantly changed when the particles had been processed in preceding cloud droplet activation steps. Such behaviour was also observed for the second investigated species, namely sodium oxalate. Our experiments address the atmospheric scenario that coating layers

Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions.

Science.gov (United States)

Jiang, Hao; Haji-Akbari, Amir; Debenedetti, Pablo G; Panagiotopoulos, Athanassios Z

2018-01-28

We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained for a range of salt concentrations for the Joung-Cheatham NaCl force field combined with the Extended Simple Point Charge (SPC/E) water model. The calculated nucleation rates are significantly lower than the available experimental measurements. The estimates for the nucleation rates in this work do not rely on classical nucleation theory, but the pathways observed in the simulations suggest that the nucleation process is better described by classical nucleation theory than an alternative interpretation based on Ostwald's step rule, in contrast to some prior simulations of related models. In addition to the size of NaCl nucleus, we find that the crystallinity of a nascent cluster plays an important role in the nucleation process. Nuclei with high crystallinity were found to have higher growth probability and longer lifetimes, possibly because they are less exposed to hydration water.

A two-parameter extension of classical nucleation theory

International Nuclear Information System (INIS)

Lutsko, James F; Durán-Olivencia, Miguel A

2015-01-01

A two-variable stochastic model for diffusion-limited nucleation is developed using a formalism derived from fluctuating hydrodynamics. The model is a direct generalization of the standard classical nucleation theory (CNT). The nucleation rate and pathway are calculated in the weak-noise approximation and are shown to be in good agreement with direct numerical simulations for the weak-solution/strong-solution transition in globular proteins. We find that CNT underestimates the time needed for the formation of a critical cluster by two orders of magnitude and that this discrepancy is due to the more complex dynamics of the two variable model and not, as often is assumed, a result of errors in the estimation of the free energy barrier. (paper)

Analysis of isothermal and cooling-rate-dependent immersion freezing by a unifying stochastic ice nucleation model

Directory of Open Access Journals (Sweden)

P. A. Alpert

2016-02-01

Full Text Available Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature, T, and relative humidity, RH, at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature and cooling-rate-dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nucleating particles (INPs all have the same INP surface area (ISA; however, the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. Descriptions of ice active sites and variability of contact angles have been successfully formulated to describe ice nucleation experimental data in previous research; however, we consider the ability of a stochastic freezing model founded on classical nucleation theory to reproduce previous results and to explain experimental uncertainties and data scatter. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses parameters including the total number of droplets, Ntot, and the heterogeneous ice nucleation rate coefficient, Jhet(T. This model is applied to address if (i a time and ISA-dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and

Caseoperoxidase, mixed β-casein-SDS-hemin-imidazole complex: a nano artificial enzyme.

Science.gov (United States)

Moosavi-Movahedi, Zainab; Gharibi, Hussein; Hadi-Alijanvand, Hamid; Akbarzadeh, Mohammad; Esmaili, Mansoore; Atri, Maliheh S; Sefidbakht, Yahya; Bohlooli, Mousa; Nazari, Khodadad; Javadian, Soheila; Hong, Jun; Saboury, Ali A; Sheibani, Nader; Moosavi-Movahedi, Ali A

2015-01-01

A novel peroxidase-like artificial enzyme, named "caseoperoxidase", was biomimetically designed using a nano artificial amino acid apo-protein hydrophobic pocket. This four-component nano artificial enzyme containing heme-imidazole-β-casein-SDS exhibited high activity growth and k(cat) performance toward the native horseradish peroxidase demonstrated by the steady state kinetics using UV-vis spectrophotometry. The hydrophobicity and secondary structure of the caseoperoxidase were studied by ANS fluorescence and circular dichroism spectroscopy. Camel β-casein (Cβ-casein) was selected as an appropriate apo-protein for the heme active site because of its innate flexibility and exalted hydrophobicity. This selection was confirmed by homology modeling method. Heme docking into the newly obtained Cβ-casein structure indicated one heme was mainly incorporated with Cβ-casein. The presence of a main electrostatic site for the active site in the Cβ-casein was also confirmed by experimental methods through Wyman binding potential and isothermal titration calorimetry. The existence of Cβ-casein protein in this biocatalyst lowered the suicide inactivation and provided a suitable protective role for the heme active-site. Additional experiments confirmed the retention of caseoperoxidase structure and function as an artificial enzyme.

Evaporation rate of nucleating clusters.

Science.gov (United States)

Zapadinsky, Evgeni

2011-11-21

The Becker-Döring kinetic scheme is the most frequently used approach to vapor liquid nucleation. In the present study it has been extended so that master equations for all cluster configurations are included into consideration. In the Becker-Döring kinetic scheme the nucleation rate is calculated through comparison of the balanced steady state and unbalanced steady state solutions of the set of kinetic equations. It is usually assumed that the balanced steady state produces equilibrium cluster distribution, and the evaporation rates are identical in the balanced and unbalanced steady state cases. In the present study we have shown that the evaporation rates are not identical in the equilibrium and unbalanced steady state cases. The evaporation rate depends on the number of clusters at the limit of the cluster definition. We have shown that the ratio of the number of n-clusters at the limit of the cluster definition to the total number of n-clusters is different in equilibrium and unbalanced steady state cases. This causes difference in evaporation rates for these cases and results in a correction factor to the nucleation rate. According to rough estimation it is 10(-1) by the order of magnitude and can be lower if carrier gas effectively equilibrates the clusters. The developed approach allows one to refine the correction factor with Monte Carlo and molecular dynamic simulations.

Computational fluid dynamics and population balance modelling of nucleate boiling of cryogenic liquids: Theoretical developments

Directory of Open Access Journals (Sweden)

Guan Heng Yeoh

2016-12-01

Full Text Available The main focus in the analysis of pool or flow boiling in saturated or subcooled conditions is the basic understanding of the phase change process through the heat transfer and wall heat flux partitioning at the heated wall and the two-phase bubble behaviours in the bulk liquid as they migrate away from the heated wall. This paper reviews the work in this rapid developing area with special reference to modelling nucleate boiling of cryogenic liquids in the context of computational fluid dynamics and associated theoretical developments. The partitioning of the wall heat flux at the heated wall into three components – single-phase convection, transient conduction and evaporation – remains the most popular mechanistic approach in predicting the heat transfer process during boiling. Nevertheless, the respective wall heat flux components generally require the determination of the active nucleation site density, bubble departure diameter and nucleation frequency, which are crucial to the proper prediction of the heat transfer process. Numerous empirical correlations presented in this paper have been developed to ascertain these three important parameters with some degree of success. Albeit the simplicity of empirical correlations, they remain applicable to only a narrow range of flow conditions. In order to extend the wall heat flux partitioning approach to a wider range of flow conditions, the fractal model proposed for the active nucleation site density, force balance model for bubble departing from the cavity and bubble lifting off from the heated wall and evaluation of nucleation frequency based on fundamental theory depict the many enhancements that can improve the mechanistic model predictions. The macroscopic consideration of the two-phase boiling in the bulk liquid via the two-fluid model represents the most effective continuum approach in predicting the volume fraction and velocity distributions of each phase. Nevertheless, the

Thermodynamic Derivation of the Activation Energy for Ice Nucleation

Science.gov (United States)

Barahona, D.

2015-01-01

Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the

Intermediate Nucleation State of GaN Growth

Science.gov (United States)

Zheng, L. X.; Xie, M. H.; Tong, S. Y.

2001-03-01

Homoexpitaxial nucleation of GaN during molecular-beam epitaxy is followed by scanning tunneling microcopy (STM). We observe a metastable nucleation state, which manifests as “ghost” islands in STM images. These “ghost” islands can be irreversibly driven into normal islands by continuous STM imaging. It is further established that the “ghost” island formation is related to the presence of excess Ga atoms on the surface: Normal islands are only seen under the N-rich or stoichiometric flux condition, whereas “ghost” islands are observed under Ga-rich conditions. For intermediate excess-Ga coverages, both normal and “ghost” islands are present, however, they show distinctly different sizes, suggesting different nucleation states for the two. A growth model is proposed to account for the formation of metastable, “ghost” islands. Kinetic Monte Carlo simulation is carried out and main features of the surface are reproduced. We acknowledge financial support from HK RGC under grant Nos. 7396/00P, 7142/99P, and 7121/00P.

Laser-nucleated acoustic cavitation in focused ultrasound.

Science.gov (United States)

Gerold, Bjoern; Kotopoulis, Spiros; McDougall, Craig; McGloin, David; Postema, Michiel; Prentice, Paul

2011-04-01

Acoustic cavitation can occur in therapeutic applications of high-amplitude focused ultrasound. Studying acoustic cavitation has been challenging, because the onset of nucleation is unpredictable. We hypothesized that acoustic cavitation can be forced to occur at a specific location using a laser to nucleate a microcavity in a pre-established ultrasound field. In this paper we describe a scientific instrument that is dedicated to this outcome, combining a focused ultrasound transducer with a pulsed laser. We present high-speed photographic observations of laser-induced cavitation and laser-nucleated acoustic cavitation, at frame rates of 0.5×10(6) frames per second, from laser pulses of energy above and below the optical breakdown threshold, respectively. Acoustic recordings demonstrated inertial cavitation can be controllably introduced to the ultrasound focus. This technique will contribute to the understanding of cavitation evolution in focused ultrasound including for potential therapeutic applications. © 2011 American Institute of Physics

Homogeneous nucleation limit on the bulk formation of metallic glasses

International Nuclear Information System (INIS)

Drehman, A.J.

1983-01-01

Glassy Pd 82 Si 18 spheres, of up to 1 mm diameter, were formed in a drop tube filled with He gas. The largest spheres were successfully cooled to a glass using a cooling rate of less than 800 K/sec. Even at this low cooling rate, crystallization (complete or partial) was the result of heterogeneous nucleation at a high temperature, relative to the temperature at which copious homogeneous nucleation would commence. Bulk underscoring experiments demonstrated that this alloy could be cooled to 385 K below its eutectic melting temperature (1083 K) without the occurrence of crystallization. If heterogeneous nucleation can be avoided, it is estimated that a cooling rate of at most 100 K/sec would be required to form this alloy in the glassy state. Ingots of glassy Pd 40 Ni 40 P 20 were formed from the liquid by cooling at a rate of only 1 K/sec. It was found that glassy samples of this alloy could be heated well above the glass transition temperature without the occurrence of rapid divitrification. This is a result due, in part of the low density of pre-existing nuclei, but, more importantly, due to the low homogeneous nucleation rate and the slow crystal growth kinetics. Based on the observed devitrification kinetics, the steady-state homogeneous nucleation rate is approximately 1 nuclei/cm 3 sec at 590 K (the temperature at which the homogeneous nucleation rate is estimated to be a maximum). Two iron-nickel based glass-forming alloys (Fe 40 Ni 40 P 14 B 6 and Fe 40 Ni 40 B 20 , were not successfully formed into glassy spheres, however, microstructural examination indicates that crystallization was not the result of copious homogeneous nucleation. In contrast, glass forming iron based alloys (Fe 80 B 20 and Fe/sub 79.3/B/sub 16.4/Si/sub 4.0/C/sub 0.3/) exhibit copious homogeneous nucleation when cooled at approximately the same rate

Non-equilibrium Quasi-Chemical Nucleation Model

Science.gov (United States)

Gorbachev, Yuriy E.

2018-04-01

Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

Texture control and seeded nucleation of nanosize structures of ferroelectric thin films

Science.gov (United States)

Muralt, Paul

2006-09-01

An overview is given on nucleation phenomena of Pb(Zr ,Ti)O3 (PZT) thin films on Pt(111)-based substrates. Emphasis is given on in situ growth methods, particularly in situ reactive sputtering from three metallic targets. Growth of PZT thin films is discussed from the point of view of the PbOx-TiO2 phase diagram, PbO vapor pressure, and classical nucleation theory. The role of thin TiO2 affinity layers and spots is explained in the frame of this theory. Activation energies for desorption and chemisorption are adapted to comply with the fact that nucleation rates on TiO2 are much larger than the ones on bare Pt(111). The model reproduces well the PbO surface flux from bare Pt(111) to the affinity spots in the case of PbTiO3 nucleation and the reversed tendency in the case of PZT 40/60 nucleation, explaining experimental observations. The critical size of nuclei was calculated to contain 8-10unit cells for PbTiO3/Pt nucleation and 14-17 for PZT/Pt nucleation.

Effect of strain on surface diffusion and nucleation

DEFF Research Database (Denmark)

Brune, Harald; Bromann, Karsten; Röder, Holger

1995-01-01

The influence of strain on diffusion and nucleation has been studied by means of scanning tunneling microscopy and effective-medium theory for Ag self-diffusion on strained and unstrained (111) surfaces. Experimentally, the diffusion barrier is observed to be substantially lower on a pseudomorphic...... effect on surface diffusion and nucleation in heteroepitaxy and are thus of significance for the film morphology in the kinetic growth regime....

Comparison of the SAWNUC model with CLOUD measurements of sulphuric acid-water nucleation

CERN Document Server

Ehrhart, Sebastian; Almeida, Joao; Amorim, Antonio; Barmet, Peter; Bianchi, Federico; Dommen, Josef; Dunne, Eimear M; Duplissy, Jonathan; Franchin, Alessandro; Kangasluoma, Juha; Kirkby, Jasper; Kürten, Andreas; Kupc, Agnieszka; Lehtipalo, Katrianne; Nieminen, Tuomo; Riccobono, Francesco; Rondo, Linda; Schobesberger, Siegfried; Steiner, Gerhard; Tomé, António; Wimmer, Daniela; Baltensperger, Urs; Wagner, Paul E; Curtius, Joachim

2016-01-01

Binary nucleation of sulphuric acid-water particles is expected to be an important process in the free troposphere at low temperatures. SAWNUC (Sulphuric Acid Water Nucleation) is a model of binary nucleation that is based on laboratory measurements of the binding energies of sulphuric acid and water in charged and neutral clusters. Predictions of SAWNUC are compared for the first time comprehensively with experimental binary nucleation data from the CLOUD chamber at European Organization for Nuclear Research. The experimental measurements span a temperature range of 208–292 K, sulphuric acid concentrations from 1·106 to 1·109 cm−3, and distinguish between ion-induced and neutral nucleation. Good agreement, within a factor of 5, is found between the experimental and modeled formation rates for ion-induced nucleation at 278 K and below and for neutral nucleation at 208 and 223 K. Differences at warm temperatures are attributed to ammonia contamination which was indicated by the presence of ammonia-sulphu...

Heterogeneous Nucleation of Methane Hydrate in a Water-Decane-Methane Emulsion

Science.gov (United States)

Shestakov, V. A.; Kosyakov, V. I.; Manakov, A. Yu.; Stoporev, A. S.; Grachev, E. V.

2018-07-01

Heterogeneous nucleation in disperse systems with metastable disperse phases plays an important role in the mechanisms of environmental and technological processes. The effect the concentration and activity of particles that initiate the formation of a new phase have on nucleation processes in such systems is considered. An approach is proposed that allows construction of a spectrum of particle activity characterizing the features of nucleation in a sample, based on the fraction of crystallized droplets depending on the level of supercooling and the use of Weibull's distribution. The proposed method is used to describe experimental data on the heterogeneous nucleation of methane hydrate in an emulsion in a water-decane-methane system.

High-strength mineralized collagen artificial bone

Science.gov (United States)

Qiu, Zhi-Ye; Tao, Chun-Sheng; Cui, Helen; Wang, Chang-Ming; Cui, Fu-Zhai

2014-03-01

Mineralized collagen (MC) is a biomimetic material that mimics natural bone matrix in terms of both chemical composition and microstructure. The biomimetic MC possesses good biocompatibility and osteogenic activity, and is capable of guiding bone regeneration as being used for bone defect repair. However, mechanical strength of existing MC artificial bone is too low to provide effective support at human load-bearing sites, so it can only be used for the repair at non-load-bearing sites, such as bone defect filling, bone graft augmentation, and so on. In the present study, a high strength MC artificial bone material was developed by using collagen as the template for the biomimetic mineralization of the calcium phosphate, and then followed by a cold compression molding process with a certain pressure. The appearance and density of the dense MC were similar to those of natural cortical bone, and the phase composition was in conformity with that of animal's cortical bone demonstrated by XRD. Mechanical properties were tested and results showed that the compressive strength was comparable to human cortical bone, while the compressive modulus was as low as human cancellous bone. Such high strength was able to provide effective mechanical support for bone defect repair at human load-bearing sites, and the low compressive modulus can help avoid stress shielding in the application of bone regeneration. Both in vitro cell experiments and in vivo implantation assay demonstrated good biocompatibility of the material, and in vivo stability evaluation indicated that this high-strength MC artificial bone could provide long-term effective mechanical support at human load-bearing sites.

Bubble nucleation in simple and molecular liquids via the largest spherical cavity method

International Nuclear Information System (INIS)

Gonzalez, Miguel A.; Abascal, José L. F.; Valeriani, Chantal; Bresme, Fernando

2015-01-01

In this work, we propose a methodology to compute bubble nucleation free energy barriers using trajectories generated via molecular dynamics simulations. We follow the bubble nucleation process by means of a local order parameter, defined by the volume of the largest spherical cavity (LSC) formed in the nucleating trajectories. This order parameter simplifies considerably the monitoring of the nucleation events, as compared with the previous approaches which require ad hoc criteria to classify the atoms and molecules as liquid or vapor. The combination of the LSC and the mean first passage time technique can then be used to obtain the free energy curves. Upon computation of the cavity distribution function the nucleation rate and free-energy barrier can then be computed. We test our method against recent computations of bubble nucleation in simple liquids and water at negative pressures. We obtain free-energy barriers in good agreement with the previous works. The LSC method provides a versatile and computationally efficient route to estimate the volume of critical bubbles the nucleation rate and to compute bubble nucleation free-energies in both simple and molecular liquids

Plasmon mediated non-photochemical nucleation of nanoparticles by circularly polarized light

OpenAIRE

Karpov, Victor G.; Grigorchuk, Nicholas I.

2014-01-01

We predict nucleation of pancake shaped metallic nanoparticles having plasmonic frequencies in resonance with a non-absorbed circularly polarized electromagnetic field. We show that the same field can induce nucleation of randomly oriented needle shaped particles. The probabilities of these shapes are estimated vs. field frequency and strength, material parameters, and temperature. This constitutes a quantitative model of non-photochemical laser induced nucleation (NPLIN) consistent with the ...

Clustering of amines and hydrazines in atmospheric nucleation

Science.gov (United States)

Li, Siyang; Qu, Kun; Zhao, Hailiang; Ding, Lei; Du, Lin

2016-06-01

It has been proved that the presence of amines in the atmosphere can enhance aerosol formation. Hydrazine (HD) and its substituted derivatives, monomethylhydrazine (MMH) and unsymmetrical dimethylhydrazine (UDMH), which are organic derivatives of amine and ammonia, are common trace atmospheric species that may contribute to the growth of nucleation clusters. The structures of the hydrazine and amine clusters containing one or two common nucleation molecules (ammonia, water, methanol and sulfuric acid) have been optimized using density functional theory (DFT) methods. The clusters growth mechanism has been explored from the thermochemistry by calculating the Gibbs free energies of adding an ammonia, water, methanol or sulfuric acid molecule step by step at room temperature, respectively. The results show that hydrazine and its derivatives could enhance heteromolecular homogeneous nucleation in the earth's atmosphere.

Freezing on a Chip—A New Approach to Determine Heterogeneous Ice Nucleation of Micrometer-Sized Water Droplets

Directory of Open Access Journals (Sweden)

Thomas Häusler

2018-04-01

Full Text Available We are presenting a new approach to analyze the freezing behavior of aqueous droplets containing ice nucleating particles. The freezing chip consists of an etched and sputtered (15 × 15 × 1 mm gold-plated silicon or pure gold chip, enabling the formation of droplets with defined diameters between 20 and 80 µm. Several applications like an automated process control and an automated image evaluation were implemented to improve the quality of heterogeneous freezing experiments. To show the functionality of the setup, we compared freezing temperatures of aqueous droplets containing ice nucleating particles (i.e., microcline, birch pollen washing water, juniper pollen, and Snomax® solution measured with our setup, with literature data. The ice nucleation active surface/mass site density (ns/m of microcline, juniper pollen, and birch pollen washing water are shown to be in good agreement with literature data. Minor variations can be explained by slight differences in composition and droplet generation technique. The nm values of Snomax® differ by up to one order of magnitude at higher subzero temperatures when compared with fresh samples but are in agreement when compared with reported data of aged Snomax® samples.

Cargo flows distribution over the loading sites of enterprises by using methods of artificial intelligence

Directory of Open Access Journals (Sweden)

Олександр Павлович Кіркін

2017-06-01

Full Text Available Development of information technologies and market requirements in effective control over cargo flows, forces enterprises to look for new ways and methods of automated control over the technological operations. For rail transportation one of the most complicated tasks of automation is the cargo flows distribution over the sites of loading and unloading. In this article the solution with the use of one of the methods of artificial intelligence – a fuzzy inference has been proposed. The analysis of the last publications showed that the fuzzy inference method is effective for the solution of similar tasks, it makes it possible to accumulate experience, it is stable to temporary impacts of the environmental conditions. The existing methods of the cargo flows distribution over the sites of loading and unloading are too simplified and can lead to incorrect decisions. The purpose of the article is to create a distribution model of cargo flows of the enterprises over the sites of loading and unloading, basing on the fuzzy inference method and to automate the control. To achieve the objective a mathematical model of the cargo flows distribution over the sites of loading and unloading has been made using fuzzy logic. The key input parameters of the model are: «number of loading sites», «arrival of the next set of cars», «availability of additional operations». The output parameter is «a variety of set of cars». Application of the fuzzy inference method made it possible to reduce loading time by 15% and to reduce costs for preparatory operations before loading by 20%. Thus this method is an effective means and holds the greatest promise for railway competitiveness increase. Interaction between different types of transportation and their influence on the cargo flows distribution over the sites of loading and unloading hasn’t been considered. These sites may be busy transshipping at that very time which is characteristic of large enterprises

The effects of ice on methane hydrate nucleation: a microcanonical molecular dynamics study.

Science.gov (United States)

Zhang, Zhengcai; Guo, Guang-Jun

2017-07-26

Although ice powders are widely used in gas hydrate formation experiments, the effects of ice on hydrate nucleation and what happens in the quasi-liquid layer of ice are still not well understood. Here, we used high-precision constant energy molecular dynamics simulations to study methane hydrate nucleation from vapor-liquid mixtures exposed to the basal, prismatic, and secondary prismatic planes of hexagonal ice (ice Ih). Although no significant difference is observed in hydrate nucleation processes for these different crystal planes, it is found, more interestingly, that methane hydrate can nucleate either on the ice surface heterogeneously or in the bulk solution phase homogeneously. Several factors are mentioned to be able to promote the heterogeneous nucleation of hydrates, including the adsorption of methane molecules at the solid-liquid interface, hydrogen bonding between hydrate cages and the ice structure, the stronger ability of ice to transfer heat than that of the aqueous solution, and the higher occurrence probability of hydrate cages in the vicinity of the ice surface than in the bulk solution. Meanwhile, however, the other factors including the hydrophilicity of ice and the ice lattice mismatch with clathrate hydrates can inhibit heterogeneous nucleation on the ice surface and virtually promote homogeneous nucleation in the bulk solution. Certainly, the efficiency of ice as a promoter and as an inhibitor for heterogeneous nucleation is different. We estimate that the former is larger than the latter under the working conditions. Additionally, utilizing the benefit of ice to absorb heat, the NVE simulation of hydrate formation with ice can mimic the phenomenon of ice shrinking during the heterogeneous nucleation of hydrates and lower the overly large temperature increase during homogeneous nucleation. These results are helpful in understanding the nucleation mechanism of methane hydrate in the presence of ice.

Critical Nuclei Size, Rate, and Activation Energy of H2 Gas Nucleation.

Science.gov (United States)

German, Sean R; Edwards, Martin A; Ren, Hang; White, Henry S

2018-03-21

Electrochemical measurements of the nucleation rate of individual H 2 bubbles at the surface of Pt nanoelectrodes (radius = 7-41 nm) are used to determine the critical size and geometry of H 2 nuclei leading to stable bubbles. Precise knowledge of the H 2 concentration at the electrode surface, C H 2 surf , is obtained by controlled current reduction of H + in a H 2 SO 4 solution. Induction times of single-bubble nucleation events are measured by stepping the current, to control C H 2 surf , while monitoring the voltage. We find that gas nucleation follows a first-order rate process; a bubble spontaneously nucleates after a stochastic time delay, as indicated by a sudden voltage spike that results from impeded transport of H + to the electrode. Hundreds of individual induction times, at different applied currents and using different Pt nanoelectrodes, are used to characterize the kinetics of phase nucleation. The rate of bubble nucleation increases by four orders of magnitude (0.3-2000 s -1 ) over a very small relative change in C H 2 surf (0.21-0.26 M, corresponding to a ∼0.025 V increase in driving force). Classical nucleation theory yields thermodynamic radii of curvature for critical nuclei of 4.4 to 5.3 nm, corresponding to internal pressures of 330 to 270 atm, and activation energies for nuclei formation of 14 to 26 kT, respectively. The dependence of nucleation rate on H 2 concentration indicates that nucleation occurs by a heterogeneous mechanism, where the nuclei have a contact angle of ∼150° with the electrode surface and contain between 35 and 55 H 2 molecules.

A simulation study of homogeneous ice nucleation in supercooled salty water

Science.gov (United States)

Soria, Guiomar D.; Espinosa, Jorge R.; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

2018-06-01

We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

Ice nucleation properties of atmospheric aerosol particles collected during a field campaign in Cyprus

Science.gov (United States)

Yordanova, Petya; Maier, Stefanie; Lang-Yona, Naama; Tamm, Alexandra; Meusel, Hannah; Pöschl, Ulrich; Weber, Bettina; Fröhlich-Nowoisky, Janine

2017-04-01

Atmospheric aerosol particles, including desert and soil dust as well as marine aerosols, are well known to act as ice nuclei (IN) and thus have been investigated in numerous ice nucleation studies. Based on their cloud condensation nuclei potential and their impacts on radiative properties of clouds (via scattering and absorption of solar radiation), aerosol particles may significantly affect the cloud and precipitation development. Atmospheric aerosols of the Eastern Mediterranean have been described to be dominated by desert dust, but only little is known on their composition and ice nucleating properties. In this study we investigated the ice nucleating ability of total suspended particles (TSP), collected at the remote site Agia Marina Xyliatou on Cyprus during a field campaign in April 2016. Airborne TSP samples containing air masses of various types such as African (Saharan) and Arabian dust and European and Middle Eastern pollution were collected on glass fiber filters at 24 h intervals. Sampling was performed ˜5 m above ground level and ˜521 m above sea level. During the sampling period, two major dust storms (PM 10max 118 μg/m3 and 66 μg/m3) and a rain event (rainfall amount: 3.4 mm) were documented. Chemical and physical characterizations of the particles were analyzed experimentally through filtration, thermal, chemical and enzyme treatments. Immersion freezing experiments were performed at relatively high subzero temperatures (-1 to -15˚ C) using the mono ice nucleation array. Preliminary results indicate that highest IN particle numbers (INPs) occurred during the second dust storm event with lower particle concentrations. Treatments at 60˚ C lead to a gradual IN deactivation, indicating the presence of biological INPs, which were observed to be larger than 300 kDa. Additional results originating from this study will be shown. Acknowledgement: This work was funded by the DFG Ice Nuclei Research Unit (INUIT).

How capping protein enhances actin filament growth and nucleation on biomimetic beads.

Science.gov (United States)

Wang, Ruizhe; Carlsson, Anders E

2015-11-25

Capping protein (CP), which caps the growing ends of actin filaments, accelerates actin-based motility. Recent experiments on biomimetic beads have shown that CP also enhances the rate of actin filament nucleation. Proposed explanations for these phenomena include (i) the actin funneling hypothesis (AFH), in which the presence of CP increases the free-actin concentration, and (ii) the monomer gating model, in which CP binding to actin filament barbed ends makes more monomers available for filament nucleation. To establish how CP increases the rates of filament elongation and nucleation on biomimetic beads, we perform a quantitative modeling analysis of actin polymerization, using rate equations that include actin filament nucleation, polymerization and capping, as modified by monomer depletion near the surface of the bead. With one adjustable parameter, our simulation results match previously measured time courses of polymerized actin and filament number. The results support a version of the AFH where CP increases the local actin monomer concentration at the bead surface, but leaves the global free-actin concentration nearly constant. Because the rate of filament nucleation increases with the monomer concentration, the increased local monomer concentration enhances actin filament nucleation. We derive a closed-form formula for the characteristic CP concentration where the local free-actin concentration reaches half the bulk value, and find it to be comparable to the global Arp2/3 complex concentration. We also propose an experimental protocol for distinguishing branching nucleation of filaments from spontaneous nucleation.

The nucleation of vorticity by ions in superfluid 4He

International Nuclear Information System (INIS)

Muirhead, C.M.; Vinen, W.F.; Donnelly, R.J.

1985-01-01

The theory developed in Part I is extended to include a discussion of nucleation by negative ions in the presence of dissolved 3 He at a concentration such that at a low temperature the negative ion bubble is likely to have adsorbed on its surface either one or two 3 He atoms. It is argued that the adsorbed 3 He atom can change the nucleation rate for two reasons: the atom can modify the perturbation applied to the helium at the surface of the ions; and it can act as a source of energy. The second of these effects is explored in some detail. It is shown that the 3 He atom is probably less strongly bound to the ion than it would be to the core of a vortex line; furthermore the atom adsorbed onto the surface of the ion can exist in a number of excited states (Shikin states), which are thermally populated even at quite low temperatures. Therefore, when nucleation of a vortex takes place, the 3 He atom might move from the ion surface to the core of the vortex or simply from one Shikin state to another of lower energy; in either case there is a release of energy. The existence of this energy release means, first, that nucleation becomes energetically possible at a reduced ionic velocity and secondly, that the energy barrier opposing nucleation is reduced in size. Therefore the critical velocity for vortex nucleation is reduced, and, for a given supercritical velocity, the rate of nucleation is increased. Addition of a second 3 He atom would have a similar effect. Further experiments are required to check the detailed predictions of the theory. (author)

Control over phase separation and nucleation using a laser-tweezing potential

Science.gov (United States)

Walton, Finlay; Wynne, Klaas

2018-05-01

Control over the nucleation of new phases is highly desirable but elusive. Even though there is a long history of crystallization engineering by varying physicochemical parameters, controlling which polymorph crystallizes or whether a molecule crystallizes or forms an amorphous precipitate is still a poorly understood practice. Although there are now numerous examples of control using laser-induced nucleation, the absence of physical understanding is preventing progress. Here we show that the proximity of a liquid-liquid critical point or the corresponding binodal line can be used by a laser-tweezing potential to induce concentration gradients. A simple theoretical model shows that the stored electromagnetic energy of the laser beam produces a free-energy potential that forces phase separation or triggers the nucleation of a new phase. Experiments in a liquid mixture using a low-power laser diode confirm the effect. Phase separation and nucleation using a laser-tweezing potential explains the physics behind non-photochemical laser-induced nucleation and suggests new ways of manipulating matter.

Using Ice Nucleating Particles to Enable Desublimation on Chilled Substrates

Science.gov (United States)

O'Brien, Julia; Failor, Kevin; Bisbano, Caitlin; Mulroe, Megan; Nath, Saurabh; Vinatzer, Boris; Boreyko, Jonathan

2017-11-01

On a subfreezing surface, nucleating embryos usually form as supercooled condensate that later freeze into ice, as opposed to desublimation. Ice nucleating particles (INPs) have been widely used to freeze existing water; however, nobody has studied how they might affect the initial mode of nucleation. Here, we show that INPs deposited on a substrate can switch the mode of embryo nucleation to desublimation, rather than supercooled condensation. Deposition was achieved by evaporating a water droplet containing INPs on a hydrophobic silicon wafer. A Peltier stage was used to cool the wafer down inside of a controlled humidity chamber, such that the desired set point temperature correlated with the dew point and onset of nucleation. Beneath a critical surface temperature, microscopy indicated that desublimation occurred on the circular patch of deposited INPs, compared to supercooled condensation outside the circle. The hydrophobic surface was then patterned with hydrophilic stripe arrays, which facilitated the deposition of stripes of INPs via the same evaporation method. The resulting array of desublimating ice stripes created dry zones free of condensation or frost in the intermediate areas, as the hygroscopic ice stripes served as overlapping humidity sinks.

Quantifying the Effect of Stress on Sn Whisker Nucleation Kinetics

Science.gov (United States)

Chason, Eric; Vasquez, Justin; Pei, Fei; Jain, Nupur; Hitt, Andrew

2018-01-01

Although Sn whiskers have been studied extensively, there is still a need to understand the driving forces behind whisker nucleation and growth. Many studies point to the role of stress, but confirming this requires a quantitative comparison between controlled stress and the resulting whisker evolution. Recent experimental studies applied stress to a Sn layer via thermal cycling and simultaneously monitored the evolution of the temperature, stress and number of nuclei. In this work, we analyze these nucleation kinetics in terms of classical nucleation theory to relate the observed behavior to underlying mechanisms including a stress dependent activation energy and a temperature and stress-dependent whisker growth rate. Non-linear least squares fitting of the data taken at different temperatures and strain rates to the model shows that the results can be understood in terms of stress decreasing the barrier for whisker nucleation.

The role of ammonia in sulfuric acid ion induced nucleation

Directory of Open Access Journals (Sweden)

I. K. Ortega

2008-06-01

Full Text Available We have developed a new multi-step strategy for quantum chemical calculations on atmospherically relevant cluster structures that makes calculation for large clusters affordable with a good accuracy-to-computational effort ratio. We have applied this strategy to evaluate the relevance of ternary ion induced nucleation; we have also performed calculations for neutral ternary nucleation for comparison. The results for neutral ternary nucleation agree with previous results, and confirm the important role of ammonia in enhancing the growth of sulfuric acid clusters. On the other hand, we have found that ammonia does not enhance the growth of ionic sulfuric acid clusters. The results also confirm that ion-induced nucleation is a barrierless process at high altitudes, but at ground level there exists a barrier due to the presence of a local minimum on the free energy surface.

Nucleation from a cluster of inclusions, leading to void coalescense

DEFF Research Database (Denmark)

Tvergaard, Viggo

2017-01-01

A cell model analysis is used to study the nucleation and subsequent growth of voids from a non-uniform distribution of inclusions in a ductile material. Nucleation is modeled as either stress controlled or strain controlled. The special clusters considered consist of a number of uniformly spaced...... inclusions located along a plane perpendicular to the maximum principal tensile stress. A plane strain approximation is used, where the inclusions are parallel cylinders perpendicular to the plane. Clusters with different numbers of inclusions are compared with the nucleation and growth from a single...... inclusion, such that the total initial volume of the inclusions is the same for the clusters and the single inclusion. After nucleation, local void coalescence inside the clusters is accounted for, since this makes it possible to compare the rate of growth of the single larger void that results from...

Availability analysis for heterogeneous nucleation in a uniform electric field

CERN Document Server

Saidi, M H

2003-01-01

Industrial demands for more compact heat exchangers are a motivation to find new technology features. Electrohydrodynamics (EHD) is introduced as a promising phenomenon for heat transfer enhancement mechanisms. Similar to any new technology, EHD has not been understood completely yet and require more fundamental studies. In boiling phase change phenomena, nucleation is the dominant mechanism in heat transfer. Because of higher performance in heat transfer, nucleate boiling is considered as the main regime in thermal components. Hence, bubble dynamic investigation is a means to evaluate heat transfer. This study investigate bubble formation, including homogeneous and heterogeneous nucleation, from a thermodynamic point of view. Change in availability due to bubble embryo nucleation is discussed. Stability criteria for these systems are theoretically studied and results are discussed considering experimental data. In addition, a conceptual discussion on entropy generation in a thermodynamic system under electri...

High performance computations using dynamical nucleation theory

International Nuclear Information System (INIS)

Windus, T L; Crosby, L D; Kathmann, S M

2008-01-01

Chemists continue to explore the use of very large computations to perform simulations that describe the molecular level physics of critical challenges in science. In this paper, we describe the Dynamical Nucleation Theory Monte Carlo (DNTMC) model - a model for determining molecular scale nucleation rate constants - and its parallel capabilities. The potential for bottlenecks and the challenges to running on future petascale or larger resources are delineated. A 'master-slave' solution is proposed to scale to the petascale and will be developed in the NWChem software. In addition, mathematical and data analysis challenges are described

Droplet Nucleation: Physically-Based Parameterizations and Comparative Evaluation

Directory of Open Access Journals (Sweden)

Steve Ghan

2011-10-01

Full Text Available One of the greatest sources of uncertainty in simulations of climate and climate change is the influence of aerosols on the optical properties of clouds. The root of this influence is the droplet nucleation process, which involves the spontaneous growth of aerosol into cloud droplets at cloud edges, during the early stages of cloud formation, and in some cases within the interior of mature clouds. Numerical models of droplet nucleation represent much of the complexity of the process, but at a computational cost that limits their application to simulations of hours or days. Physically-based parameterizations of droplet nucleation are designed to quickly estimate the number nucleated as a function of the primary controlling parameters: the aerosol number size distribution, hygroscopicity and cooling rate. Here we compare and contrast the key assumptions used in developing each of the most popular parameterizations and compare their performances under a variety of conditions. We find that the more complex parameterizations perform well under a wider variety of nucleation conditions, but all parameterizations perform well under the most common conditions. We then discuss the various applications of the parameterizations to cloud-resolving, regional and global models to study aerosol effects on clouds at a wide range of spatial and temporal scales. We compare estimates of anthropogenic aerosol indirect effects using two different parameterizations applied to the same global climate model, and find that the estimates of indirect effects differ by only 10%. We conclude with a summary of the outstanding challenges remaining for further development and application.

International Workshop on Comparing Ice Nucleation Measuring Systems 2014

Energy Technology Data Exchange (ETDEWEB)

Cziczo, Daniel [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

2016-04-30

The relationship of ambient aerosol particles to the formation of ice-containing clouds is one of the largest uncertainties in understanding the Earth’s climate. The uncertainty is due to several poorly understood processes and measurements including, but not limited to: (1) the microphysics of how particles nucleate ice, (2) the number of ice forming particles as a function of atmospheric properties such as temperature and relative humidity, (3) the atmospheric distribution of ice forming particles and (4) the role of anthropogenic activities in producing or changing the behavior of ice forming particles. The ways in which ice forming particles can impact climate is also multi-faceted. More ice forming particles can lead to clouds with more ice crystals and different optical properties than clouds with less ice forming particles. More effective ice forming particles can lead to ice at higher temperature and/or lower saturation, resulting in clouds at lower altitude or latitude which also changes the Earth’s radiative balance. Ice nucleation also initiates most of the Earth’s precipitation, even in the mid- and low-latitudes, since cloud-top temperatures are often below freezing. The limited measurements and lack of understanding directly translates to restrictions in our ability to model atmospheric ice formation and project changes into the future. The importance of ice nucleation research is further exemplified by Figure 1 which shows the publications per decade and citations per year on the topic of ice nucleation [DeMott et al., 2011]. After a lull at the end of the last century, there has been a dramatic increase in both publications and citations related to ice nucleation; this directly corresponds to the importance of ice nucleation on the Earth’s climate and the uncertainty in this area noted by the Solomon [2007].

HOUSEHOLD NUCLEATION, DEPENDENCY AND CHILD HEALTH OUTCOMES IN GHANA.

Science.gov (United States)

Annim, Samuel Kobina; Awusabo-Asare, Kofi; Amo-Adjei, Joshua

2015-09-01

This study uses three key anthropometric measures of nutritional status among children (stunting, wasting and underweight) to explore the dual effects of household composition and dependency on nutritional outcomes of under-five children in Ghana. The objective is to examine changes in household living arrangements of under-five children to explore the interaction of dependency and nucleation on child health outcomes. The concept of nucleation refers to the changing structure and composition of household living arrangements, from highly extended with its associated socioeconomic system of production and reproduction, social behaviour and values, towards single-family households - especially the nuclear family, containing a husband and wife and their children alone. A negative relationship between levels of dependency, as measured by the number of children in the household, and child health outcomes is premised on the grounds that high dependency depletes resources, both tangible and intangible, to the disadvantage of young children. Data were drawn from the last four rounds of the Ghana Demographic and Health Surveys (GDHSs), from 1993 to 2008, for the first objective - to explore changes in household composition. For the second objective, the study used data from the 2008 GDHS. The results show that, over time, households in Ghana have been changing towards nucleation. The main finding is that in households with the same number of dependent children, in nucleated households children under age 5 have better health outcomes compared with children under age 5 in non-nucleated households. The results also indicate that the effect of dependency on child health outcomes is mediated by household nucleation and wealth status and that, as such, high levels of dependency do not necessarily translate into negative health outcomes for children under age 5, based on anthropometric measures.

The Stress-Dependent Activation Parameters for Dislocation Nucleation in Molybdenum Nanoparticles.

Science.gov (United States)

Chachamovitz, Doron; Mordehai, Dan

2018-03-02

Many specimens at the nanoscale are pristine of dislocations, line defects which are the main carriers of plasticity. As a result, they exhibit extremely high strengths which are dislocation-nucleation controlled. Since nucleation is a thermally activated process, it is essential to quantify the stress-dependent activation parameters for dislocation nucleation in order to study the strength of specimens at the nanoscale and its distribution. In this work, we calculate the strength of Mo nanoparticles in molecular dynamics simulations and we propose a method to extract the activation free-energy barrier for dislocation nucleation from the distribution of the results. We show that by deforming the nanoparticles at a constant strain rate, their strength distribution can be approximated by a normal distribution, from which the activation volumes at different stresses and temperatures are calculated directly. We found that the activation energy dependency on the stress near spontaneous nucleation conditions obeys a power-law with a critical exponent of approximately 3/2, which is in accordance with critical exponents found in other thermally activated processes but never for dislocation nucleation. Additionally, significant activation entropies were calculated. Finally, we generalize the approach to calculate the activation parameters for other driving-force dependent thermally activated processes.

A computational fluid dynamics approach to nucleation in the water-sulfuric acid system.

Science.gov (United States)

Herrmann, E; Brus, D; Hyvärinen, A-P; Stratmann, F; Wilck, M; Lihavainen, H; Kulmala, M

2010-08-12

This study presents a computational fluid dynamics modeling approach to investigate the nucleation in the water-sulfuric acid system in a flow tube. On the basis of an existing experimental setup (Brus, D.; Hyvärinen, A.-P.; Viisanen, Y.; Kulmala, M.; Lihavainen, H. Atmos. Chem. Phys. 2010, 10, 2631-2641), we first establish the effect of convection on the flow profile. We then proceed to simulate nucleation for relative humidities of 10, 30, and 50% and for sulfuric acid concentration between 10(9) to 3 x 10(10) cm(-3). We describe the nucleation zone in detail and determine how flow rate and relative humidity affect its characteristics. Experimental nucleation rates are compared to rates gained from classical binary and kinetic nucleation theory as well as cluster activation theory. For low RH values, kinetic theory yields the best agreement with experimental results while binary nucleation best reproduces the experimental nucleation behavior at 50% relative humidity. Particle growth is modeled for an example case at 50% relative humidity. The final simulated diameter is very close to the experimental result.

Characteristic of onset of nucleate boiling in natural circulation

International Nuclear Information System (INIS)

Zhou Tao; Yang Ruichang; Liu Ruolei

2006-01-01

Two kinds of thermodynamics quality at onset of nucleate boiling with sub-cooled boiling were calculated for force circulation by using Bergles and Rohesenow method or Davis and Anderson method, and natural circulation by using Tsinghua University project group's empirical equations suggested in our natural circulation experiment at same condition. The characteristic of onset of nucleate boiling with subcooled boiling in natural circulation were pointed out. The research result indicates that the thermodynamics quality at onset of nucleate boiling with subcooled boiling in natural circulation is more sensitive for heat and inlet temperature and system pressure. Producing of onset of nucleate boiling with subcooled boiling is early at same condition. The research result also indicates more from microcosmic angle of statistical physics that the phenomena are caused by the effects of characteristic of dissipative structure of natural circulation in self organization, fluctuation force and momentum force of dynamics on thermodynamics equilibrium. these can lay good basis for study and application on sub-cooled boiling in natural circulation in future. (authors)

Branching microtubule nucleation in Xenopus egg extracts mediated by augmin and TPX2

Science.gov (United States)

Petry, Sabine; Groen, Aaron C.; Ishihara, Keisuke; Mitchison, Timothy J.; Vale, Ronald D.

2013-01-01

Summary The microtubules that comprise mitotic spindles in animal cells are nucleated at centrosomes and by spindle assembly factors that are activated in the vicinity of chromatin. Indirect evidence also has suggested that microtubules might be nucleated from pre-existing microtubules throughout the spindle, but this process has not been observed directly. Here, we demonstrate microtubule nucleation from the sides of existing microtubules in meiotic Xenopus egg extracts. Daughter microtubules grow at a low branch angle and with the same polarity as mother filaments. Branching microtubule nucleation requires gamma-tubulin and augmin and is stimulated by GTP-bound Ran and its effector TPX2, factors previously implicated in chromatin-stimulated nucleation. Because of the rapid amplification of microtubule numbers and the preservation of microtubule polarity, microtubule-dependent microtubule nucleation is well suited for spindle assembly and maintenance. PMID:23415226

Current state of aerosol nucleation parameterizations for air-quality and climate modeling

Science.gov (United States)

Semeniuk, Kirill; Dastoor, Ashu

2018-04-01

Aerosol nucleation parameterization models commonly used in 3-D air quality and climate models have serious limitations. This includes classical nucleation theory based variants, empirical models and other formulations. Recent work based on detailed and extensive laboratory measurements and improved quantum chemistry computation has substantially advanced the state of nucleation parameterizations. In terms of inorganic nucleation involving BHN and THN including ion effects these new models should be considered as worthwhile replacements for the old models. However, the contribution of organic species to nucleation remains poorly quantified. New particle formation consists of a distinct post-nucleation growth regime which is characterized by a strong Kelvin curvature effect and is thus dependent on availability of very low volatility organic species or sulfuric acid. There have been advances in the understanding of the multiphase chemistry of biogenic and anthropogenic organic compounds which facilitate to overcome the initial aerosol growth barrier. Implementation of processes influencing new particle formation is challenging in 3-D models and there is a lack of comprehensive parameterizations. This review considers the existing models and recent innovations.

Buckyball Nucleation of HiPco Tubes

Science.gov (United States)

Smalley, Richard E.

2012-01-01

The purpose of this innovation is to enhance nucleation of single-wall nanotubes (SWNTs) in the HiPco process, selectively producing 10,10 tubes, something which until now has not been thought possible. This is accomplished by injecting C60, or a derivative of C60, solubilized in supercritical CO2 together with a transition metal carboneal cocatalyst into the HiPco reactor. This is a variant on the supercritical disclosure. C60 has never been used to nucleate carbon nanotubes in the gas phase. C60 itself may not have adequate solubility in supercritical CO2. However, fluorinated C60, e.g., C60F36, is easy to make cheaply and should have much enhanced solubility.

A Pathway to Artificial Metalloenzymes

KAUST Repository

Fischer, Johannes

2015-12-01

The advancement of catalytic systems and the application thereof has proven to be the key to overcome traditional limitations of industrial-scale synthetic processes. Converging organometallic and biocatalytic principles lead to the development of Artificial Metalloenzymes (ArMs) that comprise a synthetic metal catalyst embedded in a protein scaffold, thereby combining the reactivity of the former with the versatility of the latter. This synergistic approach introduces rationally designed building blocks for the catalytic site and the host protein to assemble enzyme-like structures that follow regio-, chemo-, enantio- and substrate-selective principles. Yet, the identification of suitable protein scaffolds has thus far been challenging. Herein we report a rationally optimized fluorescent protein host, mTFP*, that was engineered to have no intrinsic metal binding capability and, owing to its robust nature, can act as scaffold for the design of novel ArMs. We demonstrate the potential of site-specific modifications within the protein host, use protein X-Ray analysis to validate the respective scaffolds and show how artificial mutant binding sites can be introduced. Transition metal Förster Resonance Energy transfer (tmFRET) methodologies help to evaluate micromolar dissociation constants and reveal structural rearrangements upon coordination of the metal centers. In conjunction with molecular insights from X-Ray crystallographic structure determination, dynamics of the binding pocket can be inferred. The versatile subset of different binding motifs paired with transition metal catalysts create artificial metalloenzymes that provide reactivities which otherwise do not exist in nature. As a proof of concept, Diels-Alder cycloadditions highlight the potential of the present mTFP* based catalysts by stereoselectively converting azachalcone and cyclopentadiene substrates. Screens indicate an enantiomeric excess of up to 60% and provide insights into the electronic and

Nucleation of domains under the influence of temperature in ...

Indian Academy of Sciences (India)

Abstract. It is found that the nucleation of domains can take place in Ba5Ti2O7Cl4 under the influence of temperature unlike in many other ferroelectrics. The nucleated domain can also be removed from the structure under the randomizing effect of tem- perature. These observations have been explained on the basis of a ...

Determining the nucleation rate from the dimer growth probability

NARCIS (Netherlands)

Ter Horst, J.H.; Kashchiev, D.

2005-01-01

A new method is proposed for the determination of the stationary one-component nucleation rate J with the help of data for the growth probability P2 of a dimer which is the smallest cluster of the nucleating phase. The method is based on an exact formula relating J and P2, and is readily applicable

Ultrasound assisted nucleation and growth characteristics of glycine polymorphs--a combined experimental and analytical approach.

Science.gov (United States)

Renuka Devi, K; Raja, A; Srinivasan, K

2015-05-01

For the first time, the effect of ultrasound in the diagnostic frequency range of 1-10 MHz on the nucleation and growth characteristics of glycine has been explored. The investigation employing the ultrasonic interferometer was carried out at a constant insonation time over a wide range of relative supersaturation from σ=-0.09 to 0.76 in the solution. Ultrasound promotes only α nucleation and completely inhibits both the β and γ nucleation in the system. The propagation of ultrasound assisted mass transport facilitates nucleation even at very low supersaturation levels in the solution. The presence of ultrasound exhibits a profound effect on nucleation and growth characteristics in terms of decrease in induction period, increase in nucleation rate and decrease in crystal size than its absence in the solution. With an increase in the frequency of ultrasound, a further decrease in induction period, increase in nucleation rate and decrease in the size of the crystal is noticed even at the same relative supersaturation levels. The increase in the nucleation rate explains the combined dominating effects of both the ultrasound frequency and the supersaturation in the solution. Analytically, the nucleation parameters of the nucleated polymorph have been deduced at different ultrasonic frequencies based on the classical nucleation theory and correlations with the experimental results have been obtained. Structural affirmation of the nucleated polymorph has been ascertained by powder X-ray diffraction. Copyright © 2014 Elsevier B.V. All rights reserved.

Experimental Investigation of the Role of Ions in Aerosol Nucleation

Science.gov (United States)

Pedersen, J. P.; Enghoff, M. B.; Bondo, T.; Johnson, M. S.; Paling, S.; Svensmark, H.

2008-12-01

The role of ions in producing aerosols in Earth's atmosphere is an area of very active research. Atmospheric (Clarke et al. 1998) and experimental (Berndt et al. 2005) observations have shown that the nucleation of aerosol particles can occur under conditions that cannot be explained by classical nucleation theory. Several ideas have been put forward to solve this nucleation problem, e.g. Ion-Induced Nucleation and Ternary Nucleation. Experimental investigations exploring the role of ions in particle production are scarce, and often at conditions far removed from those relevant for the lower part of the atmosphere (Bricard et al. 1968). Recent experimental work (Svensmark et al. 2007) demonstrated that ions, produced by cosmic rays in the atmosphere, are likely to play an important role in the production of new aerosol particles. The mechanism whereby energetic cosmic rays can promote the production of cloud condensation nuclei at low altitudes constitutes a link between cosmic rays and Earth's climate and there is thus a need to corroborate the results in a different experiment. The present results are obtained in the same laboratory, but using a new setup The experiments were conducted in a 50 L cylindrical reaction chamber made of electropolished stainless steel. Aerosols were grown using photochemically produced sulphuric acid and ionization levels were controlled with a Cs-137 gamma-source. An increase in nucleation was observed when the chamber was exposed to the radioactive source. The results were analyzed using a model based on the General Dynamic Equation and the analysis revealed that Ion Induced Nucleation is the most likely mechanism for the observed nucleation increases and thus confirm the previous results. Berndt, T, Böge, O., Stratmann, F., Heintzenberg, J. & Kulmala, M. (2005), Science, 307, 698--700 Bricard, J., Billard, F. & Madelaine, G. (1968), J. Geophys. Res. 73, 4487--4496 Clarke, A.D., Davis, D., Kapustin, V. N. Eisele, F. Chen, G. Paluch

Controlled ice nucleation using freeze-dried Pseudomonas syringae encapsulated in alginate beads.

Science.gov (United States)

Weng, Lindong; Tessier, Shannon N; Swei, Anisa; Stott, Shannon L; Toner, Mehmet

2017-04-01

The control of ice nucleation is of fundamental significance in many process technologies related to food and pharmaceutical science and cryobiology. Mechanical perturbation, electromagnetic fields and ice-nucleating agents (INAs) have been known to induce ice nucleation in a controlled manner. But these ice-nucleating methods may suffer from cumbersome manual operations, safety concerns of external fields, and biocompatibility and recovery issues of INA particles, especially when used in living systems. Given the automatic ice-seeding nature of INAs, a promising solution to overcome some of the above limitations is to engineer a biocomposite that accommodates the INA particles but minimizes their interactions with biologics, as well as enabling the recovery of used particles. In this study, freeze-dried Pseudomonas syringae, a model ice-nucleating agent, was encapsulated into microliter-sized alginate beads. We evaluated the performance of the bacterial hydrogel beads to initiate ice nucleation in water and aqueous glycerol solution by investigating factors including the size and number of the beads and the local concentration of INA particles. In the aqueous sample of a fixed volume, the total mass of the INA particles (m) was found to be the governing parameter that is solely responsible for determining the ice nucleation performance of the bacterial hydrogel beads. The freezing temperature has a strong positive linear correlation with log 10 m. The findings in this study provide an effective, predictable approach to control ice nucleation, which can improve the outcome and standardization of many ice-assisted process technologies. Copyright © 2017 Elsevier Inc. All rights reserved.

Planar nucleation and crystallization in the annealing process of ion implanted silicon

International Nuclear Information System (INIS)

Luo Yimin; Chen Zhenhua; Chen Ding

2010-01-01

According to thermodynamic and kinetic theory, considering the variation of bulk free energy and superficial energy after nucleation as well as the migration of atoms, we study systematically the planar nucleation and crystallization that relate to two possible transition mechanisms in the annealing process of ion implanted Si: (1) liquid/solid transition: the critical nucleation work is equal to half the increased superficial energy and inversely proportional to the supercooling ΔT. Compared with bulk nucleation, the radius of the critical nucleus decreases by half, and the nucleation rate attains its maximum at T = T m /2. (2) amorphous/crystalline transition: the atoms contained in the critical nucleus and situated on its surface, as well as critical nucleation work, are all directly proportional to the height of the nucleus, and the nucleation barrier is equal to half the superficial energy too. In addition, we take SiGe semiconductor as a specific example for calculation; a value of 0.03 eV/atom is obtained for the elastic strain energy, and a more reasonable result can be gotten after taking into account its effect on transition Finally, we reach the following conclusion as a result of the calculation: for the annealing of ion implanted Si, no matter what the transition method is-liquid or solid planar nucleation-the recrystallization process is actually carried out layer by layer on the crystal substrate, and the probability of forming a 'rod-like' nucleus is much larger than that of a 'plate-like' nucleus. (semiconductor materials)

Kinetics of heterogeneous nucleation on intrinsic nucleants in pure fcc transition metals

International Nuclear Information System (INIS)

Wilde, G; Bokeloh, J; Santhaweesuk, C; Perepezko, J H; Sebright, J L

2009-01-01

Nucleation during solidification is heterogeneous in nature in an overwhelmingly large fraction of all solidification events. Yet, most often the identity of the heterogeneous nucleants that initiate nucleation remains a matter of speculation. In fact, a series of dedicated experiments needs to be designed in order to verify if nucleation of the material under study is based on one type of heterogeneous nucleant and if the potency of that nucleant is constant, e.g. for a population of individual droplets, or stays constant over time, e.g. throughout repeated melting/solidification cycles. In this work it is demonstrated that one way to circumvent ambiguities and analyze nucleation kinetics under well-defined conditions experimentally is given by performing statistically significant numbers of repeated single-droplet experiments. The application of proper statistics analyses based upon a non-homogeneous Poisson process is shown to yield nucleation rates that are independent of a specific nucleation model. Based upon this approach nucleation undercooling measurements on pure Au, Cu and Ni as model materials have confirmed that the experimental strategy and analysis method are valid. The results are comparable to those obtained by classical nucleation theory applied to experimental data that has been verified to comply with the assertions that are necessary for applying this model framework. However, the results reveal also other complex nucleant-sample interactions such as an initial transient undercooling behavior and impurity removal during repeated cycling treatments. The transient undercooling behavior has been analyzed by a nucleant refining model to provide new insight on the operation of melt fluxing treatments.

Nuclear fragmentation by nucleation approach

International Nuclear Information System (INIS)

Chung, K.C.

1992-01-01

The nucleation model is used to simulate nuclear fragmentation processes. The critical value of the effective interaction radius is shown to vary linearly with the expansion factor α. The calculated mass and charge distributions are compared with some experimental data. (author)

Systematic coarse-graining in nucleation theory

Science.gov (United States)

Schweizer, M.; Sagis, L. M. C.

2015-08-01

In this work, we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte Carlo simulations leads to nucleation rate predictions that deviate 3 - 5 orders of magnitude from the recent brute-force molecular dynamics simulations [Diemand et al., J. Chem. Phys. 139, 074309 (2013)] conducted in the experimental accessible supersaturation regime for Lennard-Jones argon. We argue that this is due to the truncated state space the literature mostly relies on, where the number of atoms in a nucleus is considered the only relevant order parameter. We here formulate the nonequilibrium statistical mechanics of nucleation in an extended state space, where the internal energy and momentum of the nuclei are additionally incorporated. We show that the extended model explains the lack in agreement between the molecular dynamics simulations by Diemand et al. and the truncated state space. We demonstrate additional benefits of using the extended state space; in particular, the definition of a nucleus temperature arises very naturally and can be shown without further approximation to obey the fluctuation law of McGraw and LaViolette. In addition, we illustrate that our theory conveniently allows to extend existing theories to richer sets of order parameters.

Quantum efficiency and oscillator strength of site-controlled InAs quantum dots

DEFF Research Database (Denmark)

Albert, F.; Stobbe, Søren; Schneider, C.

2010-01-01

We report on time-resolved photoluminescence spectroscopy to determine the oscillator strength (OS) and the quantum efficiency (QE) of site-controlled InAs quantum dots nucleating on patterned nanoholes. These two quantities are determined by measurements on site-controlled quantum dot (SCQD...

Coastal new particle formation: environmental conditions and aerosol physicochemical characteristics during nucleation bursts

NARCIS (Netherlands)

O'Dowd, C.D.; Haemeri, K.; Maekelae, J.M.; Vaekeva, M.; Aalto, P.; Leeuw, G. de; Kunz, G.J.; Becker, E.; Hansson, H-C.; Allen, A.G.; Harrison, R.M.; Berresheim, H.; Kleefeld, C.; Geever, M.; Jennings, S.G.; Kulmala, M.

2002-01-01

Nucleation mode aerosol was characterized during coastal nucleation events at Mace Head during intensive New Particle Formation and Fate in the Coastal Environment (PARFORCE) field campaigns in September 1998 and June 1999. Nucleation events were observed almost on a daily basis during the

Nucleate Boiling Heat Transfer Studied Under Reduced-Gravity Conditions

Science.gov (United States)

Chao, David F.; Hasan, Mohammad M.

2000-01-01

Boiling is known to be a very efficient mode of heat transfer, and as such, it is employed in component cooling and in various energy-conversion systems. In space, boiling heat transfer may be used in thermal management, fluid handling and control, power systems, and on-orbit storage and supply systems for cryogenic propellants and life-support fluids. Recent interest in the exploration of Mars and other planets and in the concept of in situ resource utilization on the Martian and Lunar surfaces highlights the need to understand how gravity levels varying from the Earth's gravity to microgravity (1g = or > g/g(sub e) = or > 10(exp -6)g) affect boiling heat transfer. Because of the complex nature of the boiling process, no generalized prediction or procedure has been developed to describe the boiling heat transfer coefficient, particularly at reduced gravity levels. Recently, Professor Vijay K. Dhir of the University of California at Los Angeles proposed a novel building-block approach to investigate the boiling phenomena in low-gravity to microgravity environments. This approach experimentally investigates the complete process of bubble inception, growth, and departure for single bubbles formed at a well-defined and controllable nucleation site. Principal investigator Professor Vijay K. Dhir, with support from researchers from the NASA Glenn Research Center at Lewis Field, is performing a series of pool boiling experiments in the low-gravity environments of the KC 135 microgravity aircraft s parabolic flight to investigate the inception, growth, departure, and merger of bubbles from single- and multiple-nucleation sites as a function of the wall superheat and the liquid subcooling. Silicon wafers with single and multiple cavities of known characteristics are being used as test surfaces. Water and PF5060 (an inert liquid) were chosen as test liquids so that the role of surface wettability and the magnitude of the effect of interfacial tension on boiling in reduced

Investigation of nucleation processes during dynamic recrystallization of ice using cryo-EBSD.

Science.gov (United States)

Chauve, T; Montagnat, M; Barou, F; Hidas, K; Tommasi, A; Mainprice, D

2017-02-13

Nucleation mechanisms occurring during dynamic recrystallization play a crucial role in the evolution of microstructures and textures during high temperature deformation. In polycrystalline ice, the strong viscoplastic anisotropy induces high strain heterogeneities between grains which control the recrystallization mechanisms. Here, we study the nucleation mechanisms occurring during creep tests performed on polycrystalline columnar ice at high temperature and stress (T=-5°C;σ=0.5 MPa) by post-mortem analyses of deformation microstructures using cryogenic electron backscatter diffraction. The columnar geometry of the samples enables discrimination of the nuclei from the initial grains. Various nucleation mechanisms are deduced from the analysis of the nuclei relations with the dislocation sub-structures within grains and at grain boundaries. Tilt sub-grain boundaries and kink bands are the main structures responsible for development of polygonization and mosaic sub-structures. Nucleation by bulging at serrated grain boundaries is also an efficient nucleation mechanism near the grain boundaries where strain incompatibilities are high. Observation of nuclei with orientations not related to the 'parent' ones suggests the possibility of 'spontaneous' nucleation driven by the relaxation of the dislocation-related internal stress field. The complexity of the nucleation mechanisms observed here emphasizes the impact of stress and strain heterogeneities on dynamic recrystallization mechanisms.This article is part of the themed issue 'Microdynamics of ice'. © 2016 The Author(s).

Nucleation and dissociation of nano-particles in gas phase; Nucleation et evaporation de nanoparticules en phase gazeuse

Energy Technology Data Exchange (ETDEWEB)

Feiden, P

2007-09-15

This work deals with the study of nano-particles formation in gas phase and their dissociation pathways after an optical excitation. The clusters formation decomposes in two steps: a seed is formed (nucleation phase) and sticks atoms during its propagation in a sodium atomic vapor (growth phase). Those two steps have been observed separately for homogeneous Na{sub n} and heterogeneous Na{sub n}X particles (X = (NaOH){sub 2} or (Na{sub 2}O){sub 2}). The growth mechanism is well interpreted by a Monte Carlo simulation taking into account an accretion mechanism with hard-sphere cross section. The homogeneous nucleation mechanism has been highlighted by a direct comparison with the Classical Nucleation Theory predictions. The clusters fragmentation of ionic Na{sup +}(NaOH){sub p} et Na{sup +}(NaF){sub p} particles is studied in the second part. The way clusters fragment with size when they are excited optically is compared with theoretical previsions: this highlights the existence of an energetic barrier for special size of clusters. Finally, the fragmentation of doubly charged Na{sup +} Na{sup +} (NaOH){sub p} clusters shows a competition between the fission into two single charged fragments and the unimolecular evaporation of a neutral fragment. (author)

Effect of Controlled Ice Nucleation on Stability of Lactate Dehydrogenase During Freeze-Drying.

Science.gov (United States)

Fang, Rui; Tanaka, Kazunari; Mudhivarthi, Vamsi; Bogner, Robin H; Pikal, Michael J

2018-03-01

Several controlled ice nucleation techniques have been developed to increase the efficiency of the freeze-drying process as well as to improve the quality of pharmaceutical products. Owing to the reduction in ice surface area, these techniques have the potential to reduce the degradation of proteins labile during freezing. The objective of this study was to evaluate the effect of ice nucleation temperature on the in-process stability of lactate dehydrogenase (LDH). LDH in potassium phosphate buffer was nucleated at -4°C, -8°C, and -12°C using ControLyo™ or allowed to nucleate spontaneously. Both the enzymatic activity and tetramer recovery after freeze-thawing linearly correlated with product ice nucleation temperature (n = 24). Controlled nucleation also significantly improved batch homogeneity as reflected by reduced inter-vial variation in activity and tetramer recovery. With the correlation established in the laboratory, the degradation of protein in manufacturing arising from ice nucleation temperature differences can be quantitatively predicted. The results show that controlled nucleation reduced the degradation of LDH during the freezing process, but this does not necessarily translate to vastly superior stability during the entire freeze-drying process. The capability of improving batch homogeneity provides potential advantages in scaling-up from lab to manufacturing scale. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Nucleation of strange matter in dense stellar cores

International Nuclear Information System (INIS)

Horvath, J.E.; Benvenuto, O.G.; Vucetich, H.

1992-01-01

We investigate the nucleation of strange quark matter inside hot, dense nuclear matter. Applying Zel'dovich's kinetic theory of nucleation we find a lower limit of the temperature T for strange-matter bubbles to appear, which happens to be satisfied inside the Kelvin-Helmholtz cooling era of a compact star life but not much after it. Our bounds thus suggest that a prompt conversion could be achieved, giving support to earlier expectations for nonstandard type-II supernova scenarios

Analysis of nucleation modelling in ductile cast iron

DEFF Research Database (Denmark)

Moumeni, Elham; Tutum, Cem Celal; Tiedje, Niels Skat

2012-01-01

Heterogeneous nucleation of nodular graphite at inclusions in ductile iron during eutectic solidification has been investigated. The experimental part of this work deals with casting of ductile iron samples with two different inoculants in four different thicknesses. Chemical analysis, metallogra......Heterogeneous nucleation of nodular graphite at inclusions in ductile iron during eutectic solidification has been investigated. The experimental part of this work deals with casting of ductile iron samples with two different inoculants in four different thicknesses. Chemical analysis...

Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

Science.gov (United States)

Glatz, Brittany; Sarupria, Sapna

2018-01-23

Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

A unified kinetic approach to binary nucleation

Energy Technology Data Exchange (ETDEWEB)

Kevrekidis, P.G. [Department of Physics, Rutgers University, 136 Frelinghuysen Road]|[E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854-8019 (United States); Lazaridis, M. [Norwegian Institute for Air Research (NILU), Instittutvein 18, P. O. Box 100, N-2007 Kjeller (Norway); Drossinos, Y. [European Commission, Joint Research Centre, I-21020 Ispra (Vatican City State, Holy See) (Italy); Georgopoulos, P.G. [E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854 (United States)

1999-11-01

Two different methods to calculate the steady-state nucleation rate in heteromolecular systems proposed by Stauffer (1976) and Langer (1969) are analyzed. Their mathematical equivalence is explicitly demonstrated, thereby obtaining a generic expression for the rate of binary nucleation. Its numerical evaluation does not entail rotation of the coordinate system at the saddle point, but it only requires data in the natural coordinate system of number fluctuations, namely molecular impingement rates, the droplet free energy and its second order derivatives at the saddle point, and the total density of condensible vapors. {copyright} {ital 1999 American Institute of Physics.}

Crystal nucleation in simple and complex fluids.

Science.gov (United States)

Oxtoby, David W

2003-03-15

The application of density-functional methods from statistical mechanics to the nucleation of crystals from the melt is described. Simple fluids such as metals, with sizes comparable with the range of their attractive forces, are compared with complex fluids such as colloidal suspensions and proteins dissolved in solution. A different mechanism for crystal nucleation is proposed in the latter case, in which density (concentration) changes before periodic crystalline order appears. This leads to a theoretical foundation for empirical observations on the 'crystallization window' in protein crystallization. Comparisons are made with the results of computer simulation via molecular dynamics.

Autocatalytic microtubule nucleation determines the size and mass of Xenopus laevis egg extract spindles.

Science.gov (United States)

Decker, Franziska; Oriola, David; Dalton, Benjamin; Brugués, Jan

2018-01-11

Regulation of size and growth is a fundamental problem in biology. A prominent example is the formation of the mitotic spindle, where protein concentration gradients around chromosomes are thought to regulate spindle growth by controlling microtubule nucleation. Previous evidence suggests that microtubules nucleate throughout the spindle structure. However, the mechanisms underlying microtubule nucleation and its spatial regulation are still unclear. Here, we developed an assay based on laser ablation to directly probe microtubule nucleation events in Xenopus laevis egg extracts. Combining this method with theory and quantitative microscopy, we show that the size of a spindle is controlled by autocatalytic growth of microtubules, driven by microtubule-stimulated microtubule nucleation. The autocatalytic activity of this nucleation system is spatially regulated by the limiting amounts of active microtubule nucleators, which decrease with distance from the chromosomes. This mechanism provides an upper limit to spindle size even when resources are not limiting. © 2018, Decker et al.

Heterogeneous primary nucleation of ice in water and aqueous solutions

NARCIS (Netherlands)

Thijssen, H.A.C.; Vorstman, M.A.G.; Roels, J.A.

1968-01-01

The effect of the volume of the liquid sample, the degree of turbulence in the liquid, and the rate of cooling upon the probability of nucleation has been studied for water and aqueous solutions. Nucleation rates were measured for droplets nearly instantaneously cooled to a predetermined

Cavitation in a metallic liquid: homogeneous nucleation and growth of nanovoids.

Science.gov (United States)

Cai, Y; Wu, H A; Luo, S N

2014-06-07

Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (~0.9 J m⁻²) and the Tolman length (0.4-0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10(33 - 34) s(-1) m(-3)) and critical size (3-4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence.

Cavitation in a metallic liquid: Homogeneous nucleation and growth of nanovoids

International Nuclear Information System (INIS)

Cai, Y.; Wu, H. A.; Luo, S. N.

2014-01-01

Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (∼0.9 J m −2 ) and the Tolman length (0.4–0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10 33−34 s −1  m −3 ) and critical size (3–4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence

Dynamics of protein aggregation and oligomer formation governed by secondary nucleation

Energy Technology Data Exchange (ETDEWEB)

Michaels, Thomas C. T., E-mail: tctm3@cam.ac.uk; Lazell, Hamish W.; Arosio, Paolo; Knowles, Tuomas P. J., E-mail: tpjk2@cam.ac.uk [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

2015-08-07

The formation of aggregates in many protein systems can be significantly accelerated by secondary nucleation, a process where existing assemblies catalyse the nucleation of new species. In particular, secondary nucleation has emerged as a central process controlling the proliferation of many filamentous protein structures, including molecular species related to diseases such as sickle cell anemia and a range of neurodegenerative conditions. Increasing evidence suggests that the physical size of protein filaments plays a key role in determining their potential for deleterious interactions with living cells, with smaller aggregates of misfolded proteins, oligomers, being particularly toxic. It is thus crucial to progress towards an understanding of the factors that control the sizes of protein aggregates. However, the influence of secondary nucleation on the time evolution of aggregate size distributions has been challenging to quantify. This difficulty originates in large part from the fact that secondary nucleation couples the dynamics of species distant in size space. Here, we approach this problem by presenting an analytical treatment of the master equation describing the growth kinetics of linear protein structures proliferating through secondary nucleation and provide closed-form expressions for the temporal evolution of the resulting aggregate size distribution. We show how the availability of analytical solutions for the full filament distribution allows us to identify the key physical parameters that control the sizes of growing protein filaments. Furthermore, we use these results to probe the dynamics of the populations of small oligomeric species as they are formed through secondary nucleation and discuss the implications of our work for understanding the factors that promote or curtail the production of these species with a potentially high deleterious biological activity.

Nucleation and microstructure development in Cr-Mo-V tool steel during gas atomization

Science.gov (United States)

Behúlová, M.; Grgač, P.; Čička, R.

2017-11-01

Nucleation studies of undercooled metallic melts are of essential interest for the understanding of phase selection, growth kinetics and microstructure development during their rapid non-equilibrium solidification. The paper deals with the modelling of nucleation processes and microstructure development in the hypoeutectic tool steel Ch12MF4 with the chemical composition of 2.37% C, 12.06 % Cr, 1.2% Mo, 4.0% V and balance Fe [wt. %] in the process of nitrogen gas atomization. Based on the classical theory of homogeneous nucleation, the nucleation temperature of molten rapidly cooled spherical particles from this alloy with diameter from 40 μm to 600 μm in the gas atomization process is calculated using various estimations of parameters influencing the nucleation process - the Gibbs free energy difference between solid and liquid phases and the solid/liquid interfacial energy. Results of numerical calculations are compared with experimentally measured nucleation temperatures during levitation experiments and microstructures developed in rapidly solidified powder particles from the investigated alloy.

The first estimates of global nucleation mode aerosol concentrations based on satellite measurements

Directory of Open Access Journals (Sweden)

M. Kulmala

2011-11-01

Full Text Available Atmospheric aerosols play a key role in the Earth's climate system by scattering and absorbing solar radiation and by acting as cloud condensation nuclei. Satellites are increasingly used to obtain information on properties of aerosol particles with a diameter larger than about 100 nm. However, new aerosol particles formed by nucleation are initially much smaller and grow into the optically active size range on time scales of many hours. In this paper we derive proxies, based on process understanding and ground-based observations, to determine the concentrations of these new particles and their spatial distribution using satellite data. The results are applied to provide seasonal variation of nucleation mode concentration. The proxies describe the concentration of nucleation mode particles over continents. The source rates are related to both regional nucleation and nucleation associated with more restricted sources. The global pattern of nucleation mode particle number concentration predicted by satellite data using our proxies is compared qualitatively against both observations and global model simulations.

Theory on the Mechanism of DNA Renaturation: Stochastic Nucleation and Zipping.

Directory of Open Access Journals (Sweden)

Gnanapragasam Niranjani

Full Text Available Renaturation of the complementary single strands of DNA is one of the important processes that requires better understanding in the view of molecular biology and biological physics. Here we develop a stochastic dynamical model on the DNA renaturation. According to our model there are at least three steps in the renaturation process viz. nonspecific-contact formation, correct-contact formation and nucleation, and zipping. Most of the earlier two-state models combined nucleation with nonspecific-contact formation step. In our model we suggest that it is considerably meaningful when we combine the nucleation with the zipping since nucleation is the initial step of zipping and nucleated and zipping molecules are indistinguishable. Nonspecific contact formation step is a pure three-dimensional diffusion controlled collision process. Whereas nucleation involves several rounds of one-dimensional slithering and internal displacement dynamics of one single strand of DNA on the other complementary strand in the process of searching for the correct-contact and then initiate nucleation. Upon nucleation, the stochastic zipping follows to generate a fully renatured double stranded DNA. It seems that the square-root dependency of the overall renaturation rate constant on the length of reacting single strands originates mainly from the geometric constraints in the diffusion controlled nonspecific-contact formation step. Further the inverse scaling of the renaturation rate on the viscosity of reaction medium also originates from nonspecific contact formation step. On the other hand the inverse scaling of the renaturation rate with the sequence complexity originates from the stochastic zipping which involves several rounds of crossing over the free-energy barrier at microscopic levels. When the sequence of renaturing single strands of DNA is repetitive with less complexity then the cooperative effects will not be noticeable since the parallel zipping will be a

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface.

Science.gov (United States)

He, Xiaoxia; Shen, Yan; Hung, Francisco R; Santiso, Erik E

2016-12-07

Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim + ][Cl - ] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ∼85 kcal/mol to form a critical nucleus of size ∼3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (∼49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (∼3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (∼4.8 × 10 11 cm -3 s -1 ) is about one order of magnitude faster than the homogeneous rate (∼6.6 × 10 10 cm -3 s -1 ). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide

Investigation of heterogeneous ice nucleation in pollen suspensions and washing water

Science.gov (United States)

Dreischmeier, Katharina; Budke, Carsten; Koop, Thomas

2014-05-01

Biological particles such as pollen often show ice nucleation activity at temperatures higher than -20 °C. Immersion freezing experiments of pollen washing water demonstrate comparable ice nucleation behaviour as water containing the whole pollen bodies (Pummer et al., 2012). It was suggested that polysaccharide molecules leached from the grains are responsible for the ice nucleation. Here, heterogeneous ice nucleation in birch pollen suspensions and their washing water was investigated by two different experimental methods. The optical freezing array BINARY (Bielefeld Ice Nucleation ARraY) allows the direct observation of freezing of microliter-sized droplets. The IN spectra obtained from such experiments with birch pollen suspensions over a large concentration range indicate several different ice nucleation active species, two of which are present also in the washing water. The latter was probed also in differential scanning calorimeter (DSC) experiments of emulsified sub-picoliter droplets. Due to the small droplet size in the emulsion samples and at small concentration of IN in the washing water, such DSC experiments can exhibit the ice nucleation behaviour of a single nucleus. The two heterogeneous freezing signals observed in the DSC thermograms can be assigned to two different kinds of ice nuclei, confirming the observation from the BINARY measurements, and also previous studies on Swedish birch pollen washing water (Augustin et al., 2012). The authors gratefully acknowledge funding by the German Research Foundation (DFG) through the project BIOCLOUDS (KO 2944/1-1) and through the research unit INUIT (FOR 1525) under KO 2944/2-1. We particularly thank our INUIT partners for fruitful collaboration and sharing of ideas and IN samples. S. Augustin, H. Wex, D. Niedermeier, B. Pummer, H. Grothe, S. Hartmann, L. Tomsche, T. Clauss, J. Voigtländer, K. Ignatius, and F. Stratmann, Immersion freezing of birch pollen washing water, Atmos. Chem. Phys., 13, 10989

Development of artificial soft rock. Jinko nangan zairyo no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

Kishi, K.; Nishioka, T. (The Tokyo Electric Power Co. Inc., Tokyo (Japan)); Nojiri, Y.; Kurihara, H.; Fukazawa, E. (Kajima Corp., Tokyo (Japan))

1990-09-15

When a part of the ground is replaced with artificial materials in the construction of important structures on soft rock foundations, it is desirable for the artificial materials to have the rigidity equivalent to that of the surrounding ground and to be stable in the long term. The article reports a success in the development and utilization of artificial soft rocks satisfying the above conditions by using a raw material produced locally at the construction site. The soft rock aimed at was mudstone belonging to the Neocene period, and the artificial material of soil-mortal system is selected as the equivalent having the same physical properties. Improvements in selection of solidification agents and cohesive soil were especially contrived: taht is, a new material for solidification was developed by mixing blast-furnace cement and gypsum; and the mudstone on the site was used as the cohesive soil by slurrying it to adjust its grain size to homogeneous composition. The artificial soft rock resulting from the above contrivance showed excellent flow, self-leveling, and filling properties at the stage of fresh mortar, and the physical properties after hardning was very similar to those of the natural ground. The long-term stability was also confirmed by the tests on hydration reaction and environmental factors. 2 figs., 1 tab.

Correlation of Solubility with the Metastable Limit of Nucleation Using Gauge-Cell Monte Carlo Simulations.

Science.gov (United States)

Clark, Michael D; Morris, Kenneth R; Tomassone, Maria Silvina

2017-09-12

We present a novel simulation-based investigation of the nucleation of nanodroplets from solution and from vapor. Nucleation is difficult to measure or model accurately, and predicting when nucleation should occur remains an open problem. Of specific interest is the "metastable limit", the observed concentration at which nucleation occurs spontaneously, which cannot currently be estimated a priori. To investigate the nucleation process, we employ gauge-cell Monte Carlo simulations to target spontaneous nucleation and measure thermodynamic properties of the system at nucleation. Our results reveal a widespread correlation over 5 orders of magnitude of solubilities, in which the metastable limit depends exclusively on solubility and the number density of generated nuclei. This three-way correlation is independent of other parameters, including intermolecular interactions, temperature, molecular structure, system composition, and the structure of the formed nuclei. Our results have great potential to further the prediction of nucleation events using easily measurable solute properties alone and to open new doors for further investigation.

Carbon dioxide fixation by artificial photosynthesis

Energy Technology Data Exchange (ETDEWEB)

Ibusuki, Takashi; Koike, Kazuhide; Ishitani, Osamu [National Inst. for Resources and Environment, AIST, MITI, Tsukuba, Ibaraki (Japan)

1993-12-31

Green plants can absorb atmospheric CO{sub 2} and transform it to sugars, carbohydrates through their photosynthetic systems, but they become the source of CO{sub 2} when they are dead. This is the reason why artificial leaves which can be alive forever should be developed to meet with global warming due to the increase of CO{sub 2} concentration. The goal of artificial photosynthesis is not to construct the same system as the photosynthetic one, but to mimic the ability of green plants to utilize solar energy to make high energy chemicals. Needless to say, the artificial photosynthetic system is desired to be as simple as possible and to be as efficient as possible. From the knowledge on photosynthesis and the results of previous investigations, the critical components of artificial photosynthetic system are understood as follows: (1) light harvesting chromophore, (2) a center for electron transfer and charge separation, (3) catalytic sites for converting small molecules like water and CO{sub 2} (mutilelectron reactions) which are schematically described.

Multiple daytime nucleation events in semi-clean savannah and industrial environments in South Africa: analysis based on observations

Directory of Open Access Journals (Sweden)

A. Hirsikko

2013-06-01

Full Text Available Recent studies have shown very high frequencies of atmospheric new particle formation in different environments in South Africa. Our aim here was to investigate the causes for two or three consecutive daytime nucleation events, followed by subsequent particle growth during the same day. We analysed 108 and 31 such days observed in a polluted industrial and moderately polluted rural environments, respectively, in South Africa. The analysis was based on two years of measurements at each site. After rejecting the days having notable changes in the air mass origin or local wind direction, i.e. two major reasons for observed multiple nucleation events, we were able to investigate other factors causing this phenomenon. Clouds were present during, or in between most of the analysed multiple particle formation events. Therefore, some of these events may have been single events, interrupted somehow by the presence of clouds. From further analysis, we propose that the first nucleation and growth event of the day was often associated with the mixing of a residual air layer rich in SO2 (oxidized to sulphuric acid into the shallow surface-coupled layer. The second nucleation and growth event of the day usually started before midday and was sometimes associated with renewed SO2 emissions from industrial origin. However, it was also evident that vapours other than sulphuric acid were required for the particle growth during both events. This was especially the case when two simultaneously growing particle modes were observed. Based on our analysis, we conclude that the relative contributions of estimated H2SO4 and other vapours on the first and second nucleation and growth events of the day varied from day to day, depending on anthropogenic and natural emissions, as well as atmospheric conditions.

Crystal nucleation in metallic alloys using x-ray radiography and machine learning

Science.gov (United States)

Arteta, Carlos; Lempitsky, Victor

2018-01-01

The crystallization of solidifying Al-Cu alloys over a wide range of conditions was studied in situ by synchrotron x-ray radiography, and the data were analyzed using a computer vision algorithm trained using machine learning. The effect of cooling rate and solute concentration on nucleation undercooling, crystal formation rate, and crystal growth rate was measured automatically for thousands of separate crystals, which was impossible to achieve manually. Nucleation undercooling distributions confirmed the efficiency of extrinsic grain refiners and gave support to the widely assumed free growth model of heterogeneous nucleation. We show that crystallization occurred in temporal and spatial bursts associated with a solute-suppressed nucleation zone. PMID:29662954

Void nucleation at elevated temperatures under cascade-damage irradiation

International Nuclear Information System (INIS)

Semenov, A.A.; Woo, C.H.

2002-01-01

The effects on void nucleation of fluctuations respectively due to the randomness of point-defect migratory jumps, the random generation of free point defects in discrete packages, and the fluctuating rate of vacancy emission from voids are considered. It was found that effects of the cascade-induced fluctuations are significant only at sufficiently high total sink strength. At lower sink strengths and elevated temperatures, the fluctuation in the rate of vacancy emission is the dominant factor. Application of the present theory to the void nucleation in annealed pure copper neutron-irradiated at elevated temperatures with doses of 10 -4 -10 -2 NRT dpa showed reasonable agreement between theory and experiment. This application also predicts correctly the temporal development of large-scale spatial heterogeneous microstructure during the void nucleation stage. Comparison between calculated and experimental void nucleation rates in neutron-irradiated molybdenum at temperatures where vacancy emission from voids is negligible showed reasonable agreement as well. It was clearly demonstrated that the athermal shrinkage of relatively large voids experimentally observable in molybdenum at such temperatures may be easily explained in the framework of the present theory

Characterization of Ice Nucleating Particles at the Western US Coast

Science.gov (United States)

Rocci, K.; McCluskey, C. S.; Hill, T. C. J.; DeMott, P. J.; Kreidenweis, S. M.

2015-12-01

In temperate climates, ice nucleating particles (INPs) are vital for precipitation initiation. Because INPs may affect precipitation efficiency, and thereby the supply of water resources, it is paramount to have a clear understanding of both natural and anthropogenic sources of INPs. This is especially important to understand in California where drought continues to be a major problem. The CalWater 2015 field campaign, which took place in California from January 15 - March 9, 2015, included comprehensive characterizations of aerosols and their ice nucleating ability via ground-, air-, and ship-based measurements. As part of this campaign, we characterized and analyzed the intra-air mass differences of INPs at a coastal site (Bodega Bay) using immersion freezing measurements of particles collected on filters. Aerosol filters collected throughout the campaign were characterized by their loading and dominant type using meteorology, aerosol size distributions, aerosol composition, and trace gas concentration data. Samples contained a variety of aerosol influences, including biomass burning, nitrogen pollution, sulfur pollution, and sea spray. This study had a particular focus on the INP activity spectra of sea spray aerosol (SSA). We used the online aerosol data to infer variations in SSA types and heat-treated specific samples to look for the presence of heat-labile biological INPs. Furthermore, we ran the NOAA HYSPLIT model to obtain back trajectories for samples dominated by SSA. We found that air masses dominated by distinct terrestrial source types are not well distinguished by their INP number concentrations. However, we did see significantly higher (up to 5000-fold) INP number concentrations in SSA samples taken at the coast compared with number concentrations in samples obtained over open ocean. This difference could be attributable to differences in overall aerosol abundance, which will be evaluated in future studies. Overall, our findings suggest that an